N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide

C24H19ClFN5O — CID 171520631

IUPACN-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C3(F)CC3)c2)cc1-c1cnc2c(Cl)c(N)ncc2c1
InChIInChI=1S/C24H19ClFN5O/c1-13-2-3-17(31-23(32)14-4-7-28-19(9-14)24(26)5-6-24)10-18(13)15-8-16-12-30-22(27)20(25)21(16)29-11-15/h2-4,7-12H,5-6H2,1H3,(H2,27,30)(H,31,32)
InChIKeyRPERFQBTYBGMDR-UHFFFAOYSA-N
MW447.90 g/mol
LogP5.45
Rot. Bonds4

About N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide

N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide (PubChem CID 171520631) has the molecular formula C24H19ClFN5O and a molecular weight of 447.90 g/mol. Its IUPAC name is N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide
PubChem CID171520631
Molecular FormulaC24H19ClFN5O
Molecular Weight447.90 g/mol
Exact Mass447.13
IUPAC NameN-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C3(F)CC3)c2)cc1-c1cnc2c(Cl)c(N)ncc2c1
InChIInChI=1S/C24H19ClFN5O/c1-13-2-3-17(31-23(32)14-4-7-28-19(9-14)24(26)5-6-24)10-18(13)15-8-16-12-30-22(27)20(25)21(16)29-11-15/h2-4,7-12H,5-6H2,1H3,(H2,27,30)(H,31,32)
InChIKeyRPERFQBTYBGMDR-UHFFFAOYSA-N
XLogP5.45
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.90
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 171520632
N-[3-(2-chloro-6-fluoro-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168929406
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-[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-2-yl]-4-methylphenyl]-2-(1-propylcyclopropyl)pyridine-4-carboxamide
CID 168930170
N-[3-[2-chloro-6-(3-oxabicyclo[4.1.0]heptan-6-yl)-4-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide
CID 167353169
N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;ethane
CID 163255645
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
CID 168930595
N-[3-[3-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]phenyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930177
N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridine-2-carboxamide
CID 167511653
2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165
2-(2-cyanopropan-2-yl)-N-[3-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609615
6-amino-5-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide
CID 62811763

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide (CID 171520631) is N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C3(F)CC3)c2)cc1-c1cnc2c(Cl)c(N)ncc2c1.
What is the InChIKey of N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide?
The InChIKey is RPERFQBTYBGMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O/c1-13-2-3-17(31-23(32)14-4-7-28-19(9-14)24(26)5-6-24)10-18(13)15-8-16-12-30-22(27)20(25)21(16)29-11-15/h2-4,7-12H,5-6H2,1H3,(H2,27,30)(H,31,32).
What are the key properties of N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide?
N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide has a molecular weight of 447.90 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-(1-fluorocyclopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 171520631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).