4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide

C33H31N7O2 — CID 167511464

IUPAC4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide
SMILESCOc1ccc(CN(C)c2cc3ncc(-c4cc(NC(=O)c5cc(C(C)(C)C#N)ccn5)cnc4C)cc3cn2)cc1
InChIInChI=1S/C33H31N7O2/c1-21-28(14-26(18-36-21)39-32(41)30-13-25(10-11-35-30)33(2,3)20-34)23-12-24-17-38-31(15-29(24)37-16-23)40(4)19-22-6-8-27(42-5)9-7-22/h6-18H,19H2,1-5H3,(H,39,41)
InChIKeyLJBKMOKRKRSKHB-UHFFFAOYSA-N
MW557.66 g/mol
LogP6.09
Rot. Bonds8

About 4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide

4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 167511464) has the molecular formula C33H31N7O2 and a molecular weight of 557.66 g/mol. Its IUPAC name is 4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide
PubChem CID167511464
Molecular FormulaC33H31N7O2
Molecular Weight557.66 g/mol
Exact Mass557.25
IUPAC Name4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide
SMILESCOc1ccc(CN(C)c2cc3ncc(-c4cc(NC(=O)c5cc(C(C)(C)C#N)ccn5)cnc4C)cc3cn2)cc1
InChIInChI=1S/C33H31N7O2/c1-21-28(14-26(18-36-21)39-32(41)30-13-25(10-11-35-30)33(2,3)20-34)23-12-24-17-38-31(15-29(24)37-16-23)40(4)19-22-6-8-27(42-5)9-7-22/h6-18H,19H2,1-5H3,(H,39,41)
InChIKeyLJBKMOKRKRSKHB-UHFFFAOYSA-N
XLogP6.09
TPSA116.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.66
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide
CID 167511383
4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide
CID 167511728
N-[4-chloro-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide
CID 167511512
3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine
CID 167511897
4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide
CID 171520659
N-[3-(3-amino-5-fluoroisoquinolin-7-yl)-4-methylphenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide
CID 171520610
N-[3-[3-amino-5-(2-hydroxyethoxy)isoquinolin-7-yl]-4-methylphenyl]-4-(2-cyanopropan-2-yl)pyridine-2-carboxamide
CID 171520674
2-(2-cyanopropan-2-yl)-N-[5-[6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 155216263
2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide
CID 167511866
4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 166359769
N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine
CID 167511620
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine
CID 164934740

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide (CID 167511464) is 4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide is COc1ccc(CN(C)c2cc3ncc(-c4cc(NC(=O)c5cc(C(C)(C)C#N)ccn5)cnc4C)cc3cn2)cc1.
What is the InChIKey of 4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is LJBKMOKRKRSKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N7O2/c1-21-28(14-26(18-36-21)39-32(41)30-13-25(10-11-35-30)33(2,3)20-34)23-12-24-17-38-31(15-29(24)37-16-23)40(4)19-22-6-8-27(42-5)9-7-22/h6-18H,19H2,1-5H3,(H,39,41).
What are the key properties of 4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide?
4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 557.66 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanopropan-2-yl)-N-[5-[7-[(4-methoxyphenyl)methyl-methylamino]-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 167511464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).