N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide

C20H17ClFN3O — CID 109156635

IUPACN-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C20H17ClFN3O/c1-13-10-16(21)5-8-18(13)25-20(26)15-4-9-19(24-12-15)23-11-14-2-6-17(22)7-3-14/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyWKLPSHNIDCPGMQ-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.05
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide

N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109156635) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID109156635
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC NameN-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C20H17ClFN3O/c1-13-10-16(21)5-8-18(13)25-20(26)15-4-9-19(24-12-15)23-11-14-2-6-17(22)7-3-14/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyWKLPSHNIDCPGMQ-UHFFFAOYSA-N
XLogP5.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.83
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281739
N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156639
N-(4-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260157
N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109156026
N-(3-chlorophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156937
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155987
3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054705
6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109155556
methyl 2-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156658
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide (CID 109156635) is N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(NCc2ccc(F)cc2)nc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is WKLPSHNIDCPGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-13-10-16(21)5-8-18(13)25-20(26)15-4-9-19(24-12-15)23-11-14-2-6-17(22)7-3-14/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109156635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).