2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide

C13H19N3O — CID 113277725

IUPAC2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide
SMILESCCCN(C(=O)c1ccnc(CN)c1)C1CC1
InChIInChI=1S/C13H19N3O/c1-2-7-16(12-3-4-12)13(17)10-5-6-15-11(8-10)9-14/h5-6,8,12H,2-4,7,9,14H2,1H3
InChIKeyHIZWSPHBPHWEJN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.55
Rot. Bonds5

About 2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide

2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide (PubChem CID 113277725) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide
PubChem CID113277725
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide
SMILESCCCN(C(=O)c1ccnc(CN)c1)C1CC1
InChIInChI=1S/C13H19N3O/c1-2-7-16(12-3-4-12)13(17)10-5-6-15-11(8-10)9-14/h5-6,8,12H,2-4,7,9,14H2,1H3
InChIKeyHIZWSPHBPHWEJN-UHFFFAOYSA-N
XLogP1.55
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide
CID 113277709
2-amino-N-butyl-N-cyclopropylpyridine-4-carboxamide
CID 62161731
2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 86223211
4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide
CID 43270432
4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
CID 113263115
N-(2-aminoethyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754373
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide
CID 114326567
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine
CID 63887449
2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 114326080
3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide
CID 43270676

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide (CID 113277725) is 2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide is CCCN(C(=O)c1ccnc(CN)c1)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide?
The InChIKey is HIZWSPHBPHWEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-7-16(12-3-4-12)13(17)10-5-6-15-11(8-10)9-14/h5-6,8,12H,2-4,7,9,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide?
2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 113277725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).