N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide

C25H23ClFN7O — CID 53372592

IUPACN-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(Nc3cc(-c4cc(Cl)ccc4F)nc4ncccc34)ncn2)CC1
InChIInChI=1S/C25H23ClFN7O/c1-34-9-6-15(7-10-34)25(35)33-23-13-22(29-14-30-23)31-20-12-21(18-11-16(26)4-5-19(18)27)32-24-17(20)3-2-8-28-24/h2-5,8,11-15H,6-7,9-10H2,1H3,(H2,28,29,30,31,32,33,35)
InChIKeyDBRGAEXKJUMQTE-UHFFFAOYSA-N
MW491.96 g/mol
LogP4.90
Rot. Bonds5

About N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide

N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 53372592) has the molecular formula C25H23ClFN7O and a molecular weight of 491.96 g/mol. Its IUPAC name is N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
PubChem CID53372592
Molecular FormulaC25H23ClFN7O
Molecular Weight491.96 g/mol
Exact Mass491.16
IUPAC NameN-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(Nc3cc(-c4cc(Cl)ccc4F)nc4ncccc34)ncn2)CC1
InChIInChI=1S/C25H23ClFN7O/c1-34-9-6-15(7-10-34)25(35)33-23-13-22(29-14-30-23)31-20-12-21(18-11-16(26)4-5-19(18)27)32-24-17(20)3-2-8-28-24/h2-5,8,11-15H,6-7,9-10H2,1H3,(H2,28,29,30,31,32,33,35)
InChIKeyDBRGAEXKJUMQTE-UHFFFAOYSA-N
XLogP4.90
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.96
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine
CID 53373517
trans-(1R,3R)-N-[4-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]amino]-2-pyridinyl]-3-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 176589460
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N-[6-[[1-[1-(3-chlorophenyl)-1-formamidoethyl]-5,6-dimethyl-2-oxo-3-pyridinyl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;ethane
CID 172572697
N-[6-[[6-(2-fluoro-5-methylphenyl)pyridazin-4-yl]amino]pyrimidin-4-yl]-3-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide
CID 177145244
2-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine
CID 70660140
N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
CID 59508971
N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 122315829
N-[4-[[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]sulfanyl-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]amino]-2-pyridinyl]-3-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide
CID 171781466
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90544006
N-[4-[[6-(5-chloro-2-fluorophenyl)-3-[methyl-[(3-methyl-2,4,5-trioxopyrrolidin-3-yl)methyl]amino]pyridazin-4-yl]amino]-2-pyridinyl]-3-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide
CID 175604646
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
CID 110693521

Frequently Asked Questions

What is the IUPAC name of N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide (CID 53372592) is N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cc(Nc3cc(-c4cc(Cl)ccc4F)nc4ncccc34)ncn2)CC1.
What is the InChIKey of N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is DBRGAEXKJUMQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN7O/c1-34-9-6-15(7-10-34)25(35)33-23-13-22(29-14-30-23)31-20-12-21(18-11-16(26)4-5-19(18)27)32-24-17(20)3-2-8-28-24/h2-5,8,11-15H,6-7,9-10H2,1H3,(H2,28,29,30,31,32,33,35).
What are the key properties of N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide?
N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 491.96 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 53372592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).