4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

C16H16FN3O — CID 109201906

IUPAC4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(NC2CC2)ccn1
InChIInChI=1S/C16H16FN3O/c17-12-3-1-11(2-4-12)10-19-16(21)15-9-14(7-8-18-15)20-13-5-6-13/h1-4,7-9,13H,5-6,10H2,(H,18,20)(H,19,21)
InChIKeyMNZJVAGROBUKBJ-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.72
Rot. Bonds5

About 4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109201906) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109201906
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(NC2CC2)ccn1
InChIInChI=1S/C16H16FN3O/c17-12-3-1-11(2-4-12)10-19-16(21)15-9-14(7-8-18-15)20-13-5-6-13/h1-4,7-9,13H,5-6,10H2,(H,18,20)(H,19,21)
InChIKeyMNZJVAGROBUKBJ-UHFFFAOYSA-N
XLogP2.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201908
N-[(4-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62249040
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464
N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201907
4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210417
4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109207899
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906
4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 20627948
4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211451
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (CID 109201906) is 4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(NC2CC2)ccn1.
What is the InChIKey of 4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is MNZJVAGROBUKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-12-3-1-11(2-4-12)10-19-16(21)15-9-14(7-8-18-15)20-13-5-6-13/h1-4,7-9,13H,5-6,10H2,(H,18,20)(H,19,21).
What are the key properties of 4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109201906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).