N-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide

C16H17N3O — CID 43276062

IUPACN-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide
SMILESNCc1ccc(N(C(=O)c2ccccn2)C2CC2)cc1
InChIInChI=1S/C16H17N3O/c17-11-12-4-6-13(7-5-12)19(14-8-9-14)16(20)15-3-1-2-10-18-15/h1-7,10,14H,8-9,11,17H2
InChIKeyHGGLETRXJMDQIF-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.35
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide

N-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide (PubChem CID 43276062) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide
PubChem CID43276062
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide
SMILESNCc1ccc(N(C(=O)c2ccccn2)C2CC2)cc1
InChIInChI=1S/C16H17N3O/c17-11-12-4-6-13(7-5-12)19(14-8-9-14)16(20)15-3-1-2-10-18-15/h1-7,10,14H,8-9,11,17H2
InChIKeyHGGLETRXJMDQIF-UHFFFAOYSA-N
XLogP2.35
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-phenylpyridine-2-carboxamide
CID 68859541
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
CID 43276034
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide
CID 104637940
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide
CID 107970828
phenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate
CID 43276104
N-[(3S)-oxolan-3-yl]-N-phenylpyridine-2-carboxamide
CID 99835392
ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate
CID 43276107
N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide
CID 115277407
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-ethoxyacetamide
CID 43276024
N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 126857014
N-cyclopentyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 54994544
N-cyclopentyl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 86927162

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide (CID 43276062) is N-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide is NCc1ccc(N(C(=O)c2ccccn2)C2CC2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is HGGLETRXJMDQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-11-12-4-6-13(7-5-12)19(14-8-9-14)16(20)15-3-1-2-10-18-15/h1-7,10,14H,8-9,11,17H2.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide?
N-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 43276062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).