7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile

C18H23N5O — CID 168932064

IUPAC7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile
SMILESCC(C)Nc1nc(C#N)cc2cnc(N[C@H]3CCCC[C@H]3O)cc12
InChIInChI=1S/C18H23N5O/c1-11(2)21-18-14-8-17(23-15-5-3-4-6-16(15)24)20-10-12(14)7-13(9-19)22-18/h7-8,10-11,15-16,24H,3-6H2,1-2H3,(H,20,23)(H,21,22)/t15-,16+/m0/s1
InChIKeyIJRWKFLGGCTBQG-JKSUJKDBSA-N
MW325.42 g/mol
LogP3.04
Rot. Bonds4

About 7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile

7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile (PubChem CID 168932064) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile
PubChem CID168932064
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile
SMILESCC(C)Nc1nc(C#N)cc2cnc(N[C@H]3CCCC[C@H]3O)cc12
InChIInChI=1S/C18H23N5O/c1-11(2)21-18-14-8-17(23-15-5-3-4-6-16(15)24)20-10-12(14)7-13(9-19)22-18/h7-8,10-11,15-16,24H,3-6H2,1-2H3,(H,20,23)(H,21,22)/t15-,16+/m0/s1
InChIKeyIJRWKFLGGCTBQG-JKSUJKDBSA-N
XLogP3.04
TPSA93.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile with MolForge

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Related Compounds

tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate
CID 170188357
1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932347
2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552012
7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile
CID 168932378
2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile
CID 114769770
2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
CID 170187768
2-[[(3R)-piperidin-3-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
CID 168932145
2-[(1,1-dioxothian-3-yl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
CID 168932383
CID 174109812
CID 174109812
6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile
CID 136544292
2-methylsulfinyl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
CID 168932099
2-[(5,6-dimethylpyrazin-2-yl)amino]cyclohexan-1-ol
CID 114475697

Frequently Asked Questions

What is the IUPAC name of 7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile?
The IUPAC name of 7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile (CID 168932064) is 7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile is CC(C)Nc1nc(C#N)cc2cnc(N[C@H]3CCCC[C@H]3O)cc12.
What is the InChIKey of 7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile?
The InChIKey is IJRWKFLGGCTBQG-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23N5O/c1-11(2)21-18-14-8-17(23-15-5-3-4-6-16(15)24)20-10-12(14)7-13(9-19)22-18/h7-8,10-11,15-16,24H,3-6H2,1-2H3,(H,20,23)(H,21,22)/t15-,16+/m0/s1.
What are the key properties of 7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile?
7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile has a molecular weight of 325.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 168932064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).