4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide

C16H18N4O — CID 60876467

IUPAC4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(N(Cc2cccc(N)c2)C2CC2)ccn1
InChIInChI=1S/C16H18N4O/c17-12-3-1-2-11(8-12)10-20(13-4-5-13)14-6-7-19-15(9-14)16(18)21/h1-3,6-9,13H,4-5,10,17H2,(H2,18,21)
InChIKeyNGLLRCMAMITFIQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.93
Rot. Bonds5

About 4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide

4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide (PubChem CID 60876467) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide
PubChem CID60876467
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(N(Cc2cccc(N)c2)C2CC2)ccn1
InChIInChI=1S/C16H18N4O/c17-12-3-1-2-11(8-12)10-20(13-4-5-13)14-6-7-19-15(9-14)16(18)21/h1-3,6-9,13H,4-5,10,17H2,(H2,18,21)
InChIKeyNGLLRCMAMITFIQ-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

N-(4-pyridyl)benzamide
CID 78893
Bupicomide
CID 31447
Piberaline
CID 65975
N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
CID 2306530
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}pyridine-2-carbohydrazide
CID 6878849
4-Methyl-N-4-pyridinylbenzamide
CID 84517
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879958
N-(1-Phenylcarbamoyl-2-pyridin-4-yl-vinyl)-benzamide
CID 5409139
N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide dihydrochloride
CID 14783879
Kdoam-28
CID 126961672
Kdoam-29
CID 126961673
2-(4-Amino-2,3-dimethylpyridin-1-ium-1-yl)-1-phenylethanone bromide
CID 16192904

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide (CID 60876467) is 4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide is NC(=O)c1cc(N(Cc2cccc(N)c2)C2CC2)ccn1.
What is the InChIKey of 4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide?
The InChIKey is NGLLRCMAMITFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-12-3-1-2-11(8-12)10-20(13-4-5-13)14-6-7-19-15(9-14)16(18)21/h1-3,6-9,13H,4-5,10,17H2,(H2,18,21).
What are the key properties of 4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide?
4-[(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 4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide is sourced from PubChem (CID 60876467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).