7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine

C71H72ClN13O3 — CID 167615847

IUPAC7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine
SMILESN#Cc1cc2ccc(Cl)nc2n(C2CCCC2)c1=O.N#Cc1cc2ccc(Nc3ccc4c(c3)CCCC4)nc2n(C2CCCC2)c1=O.N#Cc1cc2ccc(Nc3ccc4c(c3)CCNC4)nc2n(C2CCCC2)c1=O.Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C24H24N4O.C23H23N5O.C14H12ClN3O.C10H13N/c25-15-19-13-18-10-12-22(26-20-11-9-16-5-1-2-6-17(16)14-20)27-23(18)28(24(19)29)21-7-3-4-8-21;24-13-18-11-16-6-8-21(26-19-7-5-17-14-25-10-9-15(17)12-19)27-22(16)28(23(18)29)20-3-1-2-4-20;15-12-6-5-9-7-10(8-16)14(19)18(13(9)17-12)11-3-1-2-4-11;11-10-6-5-8-3-1-2-4-9(8)7-10/h9-14,21H,1-8H2,(H,26,27);5-8,11-12,20,25H,1-4,9-10,14H2,(H,26,27);5-7,11H,1-4H2;5-7H,1-4,11H2
InChIKeyLSOINFTVXPTXNA-UHFFFAOYSA-N
MW1190.90 g/mol
LogP13.96
Rot. Bonds7

About 7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine

7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 167615847) has the molecular formula C71H72ClN13O3 and a molecular weight of 1190.90 g/mol. Its IUPAC name is 7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID167615847
Molecular FormulaC71H72ClN13O3
Molecular Weight1190.90 g/mol
Exact Mass1189.56
IUPAC Name7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine
SMILESN#Cc1cc2ccc(Cl)nc2n(C2CCCC2)c1=O.N#Cc1cc2ccc(Nc3ccc4c(c3)CCCC4)nc2n(C2CCCC2)c1=O.N#Cc1cc2ccc(Nc3ccc4c(c3)CCNC4)nc2n(C2CCCC2)c1=O.Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C24H24N4O.C23H23N5O.C14H12ClN3O.C10H13N/c25-15-19-13-18-10-12-22(26-20-11-9-16-5-1-2-6-17(16)14-20)27-23(18)28(24(19)29)21-7-3-4-8-21;24-13-18-11-16-6-8-21(26-19-7-5-17-14-25-10-9-15(17)12-19)27-22(16)28(23(18)29)20-3-1-2-4-20;15-12-6-5-9-7-10(8-16)14(19)18(13(9)17-12)11-3-1-2-4-11;11-10-6-5-8-3-1-2-4-9(8)7-10/h9-14,21H,1-8H2,(H,26,27);5-8,11-12,20,25H,1-4,9-10,14H2,(H,26,27);5-7,11H,1-4H2;5-7H,1-4,11H2
InChIKeyLSOINFTVXPTXNA-UHFFFAOYSA-N
XLogP13.96
TPSA238.15 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001190.90
LogP ≤ 513.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine with MolForge

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Related Compounds

8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458377
8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458658
8-cyclopentyl-7-oxo-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile;molecular hydrogen
CID 155572426
8-cyclopentyl-7-oxo-2-[(2-piperidin-4-yl-1-benzofuran-5-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458829
8-cyclopentyl-7-oxo-2-[(2-oxo-1-piperidin-4-yl-4-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458454
7-oxo-8-pentan-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458655
1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile
CID 155458659
8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline
CID 167710440
8-cyclopentyl-2-[[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458625
8-cyclopentyl-7-oxo-2-[(1-oxo-3-piperazin-1-yl-2H-isoquinolin-6-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458784
8-(3-ethoxypropyl)-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458901
tert-butyl 6-[(3-cyano-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 155458984

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of 7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine (CID 167615847) is 7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for 7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine is N#Cc1cc2ccc(Cl)nc2n(C2CCCC2)c1=O.N#Cc1cc2ccc(Nc3ccc4c(c3)CCCC4)nc2n(C2CCCC2)c1=O.N#Cc1cc2ccc(Nc3ccc4c(c3)CCNC4)nc2n(C2CCCC2)c1=O.Nc1ccc2c(c1)CCCC2.
What is the InChIKey of 7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is LSOINFTVXPTXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O.C23H23N5O.C14H12ClN3O.C10H13N/c25-15-19-13-18-10-12-22(26-20-11-9-16-5-1-2-6-17(16)14-20)27-23(18)28(24(19)29)21-7-3-4-8-21;24-13-18-11-16-6-8-21(26-19-7-5-17-14-25-10-9-15(17)12-19)27-22(16)28(23(18)29)20-3-1-2-4-20;15-12-6-5-9-7-10(8-16)14(19)18(13(9)17-12)11-3-1-2-4-11;11-10-6-5-8-3-1-2-4-9(8)7-10/h9-14,21H,1-8H2,(H,26,27);5-8,11-12,20,25H,1-4,9-10,14H2,(H,26,27);5-7,11H,1-4H2;5-7H,1-4,11H2.
What are the key properties of 7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine?
7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 1190.90 g/mol, XLogP of 13.96, 7 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopentyl-2-oxo-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1,8-naphthyridine-3-carbonitrile;1-cyclopentyl-2-oxo-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-1,8-naphthyridine-3-carbonitrile;5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 167615847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).