N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide

C17H19N3O — CID 43460892

IUPACN-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(Cc2ccccc2N)C2CC2)n1
InChIInChI=1S/C17H19N3O/c1-12-5-4-8-16(19-12)17(21)20(14-9-10-14)11-13-6-2-3-7-15(13)18/h2-8,14H,9-11,18H2,1H3
InChIKeyNZMZRJILUYLAAJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.78
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide

N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide (PubChem CID 43460892) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
PubChem CID43460892
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(Cc2ccccc2N)C2CC2)n1
InChIInChI=1S/C17H19N3O/c1-12-5-4-8-16(19-12)17(21)20(14-9-10-14)11-13-6-2-3-7-15(13)18/h2-8,14H,9-11,18H2,1H3
InChIKeyNZMZRJILUYLAAJ-UHFFFAOYSA-N
XLogP2.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide
CID 102921257
N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 65214178
N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide
CID 43460874
ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide
CID 43460915
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide
CID 55102715
N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide
CID 43460891
6-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 103874178
N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide
CID 55091731
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide
CID 77044653
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
CID 43276034
2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 61113549

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide (CID 43460892) is N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)N(Cc2ccccc2N)C2CC2)n1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide?
The InChIKey is NZMZRJILUYLAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-5-4-8-16(19-12)17(21)20(14-9-10-14)11-13-6-2-3-7-15(13)18/h2-8,14H,9-11,18H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide?
N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 43460892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).