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

C16H16ClN3O — CID 109201908

IUPACN-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(NC2CC2)ccn1
InChIInChI=1S/C16H16ClN3O/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)
InChIKeyKVOZBLQIMQTUHI-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.24
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide (PubChem CID 109201908) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
PubChem CID109201908
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(NC2CC2)ccn1
InChIInChI=1S/C16H16ClN3O/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)
InChIKeyKVOZBLQIMQTUHI-UHFFFAOYSA-N
XLogP3.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109201906
N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201907
N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62186393
N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203069
4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210417
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
N-[(4-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109211790
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62175967
N-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide
CID 133366514

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide (CID 109201908) is N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc(NC2CC2)ccn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide?
The InChIKey is KVOZBLQIMQTUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/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 N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide has a molecular weight of 301.78 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109201908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).