N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide

C14H13F2N3O — CID 62175967

IUPACN-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)NCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H13F2N3O/c1-17-10-4-5-18-13(7-10)14(20)19-8-9-2-3-11(15)12(16)6-9/h2-7H,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyAINXUNVOLYHQSO-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.33
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide

N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide (PubChem CID 62175967) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
PubChem CID62175967
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)NCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H13F2N3O/c1-17-10-4-5-18-13(7-10)14(20)19-8-9-2-3-11(15)12(16)6-9/h2-7H,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyAINXUNVOLYHQSO-UHFFFAOYSA-N
XLogP2.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62179336
N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62178016
N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62186393
N-[(4-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62249040
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824244
4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 55046845
N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201908
4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109201906
N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203069
4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209444
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide
CID 109215529

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide (CID 62175967) is N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide is CNc1ccnc(C(=O)NCc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide?
The InChIKey is AINXUNVOLYHQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-17-10-4-5-18-13(7-10)14(20)19-8-9-2-3-11(15)12(16)6-9/h2-7H,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide?
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide has a molecular weight of 277.27 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62175967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).