4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide

C26H24ClFN6O — CID 53372065

IUPAC4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnccc2Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)CC1
InChIInChI=1S/C26H24ClFN6O/c1-34-11-7-17(8-12-34)31-26(35)20-15-29-10-6-22(20)32-23-14-24(19-13-16(27)4-5-21(19)28)33-25-18(23)3-2-9-30-25/h2-6,9-10,13-15,17H,7-8,11-12H2,1H3,(H,31,35)(H,29,30,32,33)
InChIKeyUIUQMMVXMQDRFO-UHFFFAOYSA-N
MW490.97 g/mol
LogP5.05
Rot. Bonds5

About 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide

4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 53372065) has the molecular formula C26H24ClFN6O and a molecular weight of 490.97 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID53372065
Molecular FormulaC26H24ClFN6O
Molecular Weight490.97 g/mol
Exact Mass490.17
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnccc2Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)CC1
InChIInChI=1S/C26H24ClFN6O/c1-34-11-7-17(8-12-34)31-26(35)20-15-29-10-6-22(20)32-23-14-24(19-13-16(27)4-5-21(19)28)33-25-18(23)3-2-9-30-25/h2-6,9-10,13-15,17H,7-8,11-12H2,1H3,(H,31,35)(H,29,30,32,33)
InChIKeyUIUQMMVXMQDRFO-UHFFFAOYSA-N
XLogP5.05
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.97
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]nicotinamide
CID 9550657
4-[[2-(5-Chloro-2-fluoro-phenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide
CID 11524054
3-Pyridinecarboxamide, 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methyl-
CID 11855958
4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-pyrimidin-4-yl]amino]-N-[3-(2-methyl-1-piperidyl)propyl]pyridine-3-carboxamide
CID 11951503
3-Pyridinecarboxamide, 6-chloro-N-[4-[[[2-(methylamino)-4-quinazolinyl]amino]methyl]phenyl]-
CID 25025509
2-Chloro-N-[4-({[2-(methylamino)quinazolin-4-yl]amino}methyl)phenyl]isonicotinamide
CID 25025510
6-chloro-N-[4-({[8-methyl-2-(methylamino)quinazolin-4-yl]amino}methyl)phenyl]nicotinamide
CID 25027105
6-chloro-N-[4-[[[7-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 44818493
6-chloro-N-[4-[[[5-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 44818495
4-Amino-6-[1-[6-fluoro-4-(piperazine-1-carbonyl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 49873242
6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-(methylamino)quinoline-5-carboxamide
CID 58227950
6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-(4-methylpiperazin-1-yl)quinoline-5-carboxamide
CID 58228090

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide (CID 53372065) is 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide is CN1CCC(NC(=O)c2cnccc2Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)CC1.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is UIUQMMVXMQDRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN6O/c1-34-11-7-17(8-12-34)31-26(35)20-15-29-10-6-22(20)32-23-14-24(19-13-16(27)4-5-21(19)28)33-25-18(23)3-2-9-30-25/h2-6,9-10,13-15,17H,7-8,11-12H2,1H3,(H,31,35)(H,29,30,32,33).
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 490.97 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 53372065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).