2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide

C17H19N3O — CID 61113549

IUPAC2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1cccc(N)c1C(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C17H19N3O/c1-12-5-4-7-15(18)16(12)17(21)20(14-8-9-14)11-13-6-2-3-10-19-13/h2-7,10,14H,8-9,11,18H2,1H3
InChIKeyAZKOMECIDJSYPM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.78
Rot. Bonds4

About 2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide

2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 61113549) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID61113549
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1cccc(N)c1C(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C17H19N3O/c1-12-5-4-7-15(18)16(12)17(21)20(14-8-9-14)11-13-6-2-3-10-19-13/h2-7,10,14H,8-9,11,18H2,1H3
InChIKeyAZKOMECIDJSYPM-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

ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020
5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81317198
2-amino-4-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide
CID 79704107
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide
CID 61108963
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115097
2-amino-6-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 24701596
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide
CID 61139154
2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide
CID 61114023
2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 54869781
3-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 62670174
cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 94822499

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 61113549) is 2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide is Cc1cccc(N)c1C(=O)N(Cc1ccccn1)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is AZKOMECIDJSYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-5-4-7-15(18)16(12)17(21)20(14-8-9-14)11-13-6-2-3-10-19-13/h2-7,10,14H,8-9,11,18H2,1H3.
What are the key properties of 2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide?
2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide 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 2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 61113549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).