N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide

C20H24ClFN4O — CID 118541233

IUPACN-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(Cl)cc(CN3CCN[C@@H](C)C3)c2C)cc1F
InChIInChI=1S/C20H24ClFN4O/c1-12-10-26(5-4-23-12)11-16-6-17(21)8-19(13(16)2)25-20(27)15-7-18(22)14(3)24-9-15/h6-9,12,23H,4-5,10-11H2,1-3H3,(H,25,27)/t12-/m0/s1
InChIKeyJHLBCRRBLWDJLP-LBPRGKRZSA-N
MW390.89 g/mol
LogP3.54
Rot. Bonds4

About N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide

N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide (PubChem CID 118541233) has the molecular formula C20H24ClFN4O and a molecular weight of 390.89 g/mol. Its IUPAC name is N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide
PubChem CID118541233
Molecular FormulaC20H24ClFN4O
Molecular Weight390.89 g/mol
Exact Mass390.16
IUPAC NameN-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(Cl)cc(CN3CCN[C@@H](C)C3)c2C)cc1F
InChIInChI=1S/C20H24ClFN4O/c1-12-10-26(5-4-23-12)11-16-6-17(21)8-19(13(16)2)25-20(27)15-7-18(22)14(3)24-9-15/h6-9,12,23H,4-5,10-11H2,1-3H3,(H,25,27)/t12-/m0/s1
InChIKeyJHLBCRRBLWDJLP-LBPRGKRZSA-N
XLogP3.54
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide with MolForge

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Related Compounds

2-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-1-(5-fluoro-6-methyl-3-pyridinyl)ethanone
CID 147873139
N-[3-[[(3S)-4-butanoyl-3-methylpiperazin-1-yl]methyl]-5-chloro-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide
CID 118541370
N-[3-chloro-4,6-dimethyl-5-[[(3R)-3-methylpiperazin-1-yl]methyl]cyclohexa-1,5-dien-1-yl]-5-fluoro-6-methylpyridine-3-carboxamide
CID 137383866
N-[5-chloro-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-2-(4-hydroxycyclohexyl)acetamide
CID 130201888
5-chloro-N-[5-chloro-2-methyl-3-[[(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 118542577
N-[5-chloro-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-2-(4-hydroxycyclohexyl)acetamide;dihydrochloride
CID 175384946
N-[5-cyano-3-[[4-(2-cyclopropylacetyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-5-fluoro-6-methylpyridine-3-carboxamide
CID 130201686
N-[5-cyano-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]-6-methoxypyridine-3-carboxamide
CID 174992870
N-[5-chloro-2-methyl-3-(piperazin-1-ylmethyl)phenyl]-5-fluoro-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide
CID 137383816
3-cyano-N-[5-fluoro-2-methyl-3-[(3-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 90203804
(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 96916148
5-chloro-N-[3-[[4-(2,2-difluorobutanoyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide
CID 130201719

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide (CID 118541233) is N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide is Cc1ncc(C(=O)Nc2cc(Cl)cc(CN3CCN[C@@H](C)C3)c2C)cc1F.
What is the InChIKey of N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide?
The InChIKey is JHLBCRRBLWDJLP-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H24ClFN4O/c1-12-10-26(5-4-23-12)11-16-6-17(21)8-19(13(16)2)25-20(27)15-7-18(22)14(3)24-9-15/h6-9,12,23H,4-5,10-11H2,1-3H3,(H,25,27)/t12-/m0/s1.
What are the key properties of N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide?
N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide has a molecular weight of 390.89 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-5-fluoro-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 118541233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).