4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide

C14H11ClF2N2O — CID 81227233

IUPAC4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCc2cc(F)ccc2F)cn1
InChIInChI=1S/C14H11ClF2N2O/c1-8-4-12(15)11(7-18-8)14(20)19-6-9-5-10(16)2-3-13(9)17/h2-5,7H,6H2,1H3,(H,19,20)
InChIKeyDAQWKDOGMQCLTO-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.25
Rot. Bonds3

About 4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide

4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide (PubChem CID 81227233) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is 4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
PubChem CID81227233
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC Name4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCc2cc(F)ccc2F)cn1
InChIInChI=1S/C14H11ClF2N2O/c1-8-4-12(15)11(7-18-8)14(20)19-6-9-5-10(16)2-3-13(9)17/h2-5,7H,6H2,1H3,(H,19,20)
InChIKeyDAQWKDOGMQCLTO-UHFFFAOYSA-N
XLogP3.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 114331675
4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81239765
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247
4-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 107230340
4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81226046
2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63794440
N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107030046
4-chloro-N-(4-fluoro-2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81227053
N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
CID 107363072
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
CID 63372919

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide (CID 81227233) is 4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NCc2cc(F)ccc2F)cn1.
What is the InChIKey of 4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is DAQWKDOGMQCLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c1-8-4-12(15)11(7-18-8)14(20)19-6-9-5-10(16)2-3-13(9)17/h2-5,7H,6H2,1H3,(H,19,20).
What are the key properties of 4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide?
4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 296.70 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81227233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).