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

C16H16ClN3O — CID 109201907

IUPACN-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc(NC2CC2)ccn1
InChIInChI=1S/C16H16ClN3O/c17-14-4-2-1-3-11(14)10-19-16(21)15-9-13(7-8-18-15)20-12-5-6-12/h1-4,7-9,12H,5-6,10H2,(H,18,20)(H,19,21)
InChIKeyGNOJQURUFICSIR-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.24
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide (PubChem CID 109201907) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
PubChem CID109201907
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc(NC2CC2)ccn1
InChIInChI=1S/C16H16ClN3O/c17-14-4-2-1-3-11(14)10-19-16(21)15-9-13(7-8-18-15)20-12-5-6-12/h1-4,7-9,12H,5-6,10H2,(H,18,20)(H,19,21)
InChIKeyGNOJQURUFICSIR-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

N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201908
N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183086
N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210753
4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109201906
4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 43517871
N-(2-chlorophenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109204995
4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109211673
2-N-[(2-chlorophenyl)methyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109086683
N-[(2-chlorophenyl)methyl]-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109211690
4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109201013
4-N-[(2-chlorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086644
N-[(2-chlorophenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081046

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide (CID 109201907) is N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide is O=C(NCc1ccccc1Cl)c1cc(NC2CC2)ccn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide?
The InChIKey is GNOJQURUFICSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-14-4-2-1-3-11(14)10-19-16(21)15-9-13(7-8-18-15)20-12-5-6-12/h1-4,7-9,12H,5-6,10H2,(H,18,20)(H,19,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide?
N-[(2-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-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109201907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).