6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide

C16H18N4O — CID 64588996

IUPAC6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(N(Cc2cccc(N)c2)C2CC2)n1
InChIInChI=1S/C16H18N4O/c17-12-4-1-3-11(9-12)10-20(13-7-8-13)15-6-2-5-14(19-15)16(18)21/h1-6,9,13H,7-8,10,17H2,(H2,18,21)
InChIKeyBUIHJCTXLGCGJV-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.93
Rot. Bonds5

About 6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide

6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide (PubChem CID 64588996) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide
PubChem CID64588996
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(N(Cc2cccc(N)c2)C2CC2)n1
InChIInChI=1S/C16H18N4O/c17-12-4-1-3-11(9-12)10-20(13-7-8-13)15-6-2-5-14(19-15)16(18)21/h1-6,9,13H,7-8,10,17H2,(H2,18,21)
InChIKeyBUIHJCTXLGCGJV-UHFFFAOYSA-N
XLogP1.93
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide
CID 60876467
6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide
CID 64589399
6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid
CID 122047885
6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide
CID 64593935
1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea
CID 79154554
N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 63086101
N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide
CID 62960207
6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide
CID 64588400
2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide
CID 43461239
N-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine
CID 62254254
3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline
CID 61030225
N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
CID 65215763

Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide?
The IUPAC name of 6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide (CID 64588996) is 6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide?
The canonical SMILES for 6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide is NC(=O)c1cccc(N(Cc2cccc(N)c2)C2CC2)n1.
What is the InChIKey of 6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide?
The InChIKey is BUIHJCTXLGCGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-12-4-1-3-11(9-12)10-20(13-7-8-13)15-6-2-5-14(19-15)16(18)21/h1-6,9,13H,7-8,10,17H2,(H2,18,21).
What are the key properties of 6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide?
6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide is sourced from PubChem (CID 64588996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).