tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C67H83N15O7 — CID 158184256

IUPACtert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)(C)OC(=O)N1CC=C(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)CC1.CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)CC1.NC(=O)N1CCCc2cc(-c3cncc(C4CCNCC4)c3)cnc21
InChIInChI=1S/C24H31N5O3.C24H29N5O3.C19H23N5O/c2*1-24(2,3)32-23(31)28-9-6-16(7-10-28)18-12-19(14-26-13-18)20-11-17-5-4-8-29(22(25)30)21(17)27-15-20;20-19(25)24-7-1-2-14-8-17(12-23-18(14)24)16-9-15(10-22-11-16)13-3-5-21-6-4-13/h11-16H,4-10H2,1-3H3,(H2,25,30);6,11-15H,4-5,7-10H2,1-3H3,(H2,25,30);8-13,21H,1-7H2,(H2,20,25)
InChIKeyFYYNXZBPXINTNZ-UHFFFAOYSA-N
MW1210.50 g/mol
LogP10.53
Rot. Bonds6

About tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 158184256) has the molecular formula C67H83N15O7 and a molecular weight of 1210.50 g/mol. Its IUPAC name is tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Nametert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID158184256
Molecular FormulaC67H83N15O7
Molecular Weight1210.50 g/mol
Exact Mass1209.66
IUPAC Nametert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)(C)OC(=O)N1CC=C(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)CC1.CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)CC1.NC(=O)N1CCCc2cc(-c3cncc(C4CCNCC4)c3)cnc21
InChIInChI=1S/C24H31N5O3.C24H29N5O3.C19H23N5O/c2*1-24(2,3)32-23(31)28-9-6-16(7-10-28)18-12-19(14-26-13-18)20-11-17-5-4-8-29(22(25)30)21(17)27-15-20;20-19(25)24-7-1-2-14-8-17(12-23-18(14)24)16-9-15(10-22-11-16)13-3-5-21-6-4-13/h11-16H,4-10H2,1-3H3,(H2,25,30);6,11-15H,4-5,7-10H2,1-3H3,(H2,25,30);8-13,21H,1-7H2,(H2,20,25)
InChIKeyFYYNXZBPXINTNZ-UHFFFAOYSA-N
XLogP10.53
TPSA287.44 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001210.50
LogP ≤ 510.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[5-(Acetylamino-methyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide
CID 86305806
tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 86305857
6-(1'-acetyl-1',2',3',4',5',6'-hexahydro-[3,4]bipyridinyl-5-yl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide
CID 117667206
6-[5-(6-morpholin-4-yl-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667340
6-[5-[(propanoylamino)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667454
6-(1',2',3',4',5',6'-hexahydro-[3,4]bipyridinyl-5-yl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide
CID 117667525
6-[5-[(3-oxopiperazin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667553
Tert-butyl 4-[[[5-[4-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]amino]methyl]piperidine-1-carboxylate
CID 44546656
tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 58230648
tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]-1,1-difluoroethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 58230698
tert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 58230706
Tert-butyl 4-[4-[3-[(5-fluoro-2-pyridinyl)amino]isoquinolin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 67128128

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 158184256) is tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(C)(C)OC(=O)N1CC=C(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)CC1.CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)CC1.NC(=O)N1CCCc2cc(-c3cncc(C4CCNCC4)c3)cnc21.
What is the InChIKey of tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is FYYNXZBPXINTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3.C24H29N5O3.C19H23N5O/c2*1-24(2,3)32-23(31)28-9-6-16(7-10-28)18-12-19(14-26-13-18)20-11-17-5-4-8-29(22(25)30)21(17)27-15-20;20-19(25)24-7-1-2-14-8-17(12-23-18(14)24)16-9-15(10-22-11-16)13-3-5-21-6-4-13/h11-16H,4-10H2,1-3H3,(H2,25,30);6,11-15H,4-5,7-10H2,1-3H3,(H2,25,30);8-13,21H,1-7H2,(H2,20,25).
What are the key properties of tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 1210.50 g/mol, XLogP of 10.53, 6 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]piperidine-1-carboxylate;6-(5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 158184256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).