2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide

C12H17N3O2 — CID 114326553

IUPAC2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCC(O)C2CC2)ccn1
InChIInChI=1S/C12H17N3O2/c13-6-10-5-9(3-4-14-10)12(17)15-7-11(16)8-1-2-8/h3-5,8,11,16H,1-2,6-7,13H2,(H,15,17)
InChIKeyFNUPVSFATLLWMK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.04
Rot. Bonds5

About 2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide (PubChem CID 114326553) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
PubChem CID114326553
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCC(O)C2CC2)ccn1
InChIInChI=1S/C12H17N3O2/c13-6-10-5-9(3-4-14-10)12(17)15-7-11(16)8-1-2-8/h3-5,8,11,16H,1-2,6-7,13H2,(H,15,17)
InChIKeyFNUPVSFATLLWMK-UHFFFAOYSA-N
XLogP0.04
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 104844460
2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 104844539
2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide
CID 113277862
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 113277733
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
CID 63294587
2-(aminomethyl)-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-4-carboxamide
CID 114326143
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
N-(2-cyclopropyl-2-hydroxyethyl)furan-3-carboxamide
CID 63294562
6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide
CID 63295326
(3S)-3-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]-5-methylhexanoic acid
CID 114326702
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide (CID 114326553) is 2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide is NCc1cc(C(=O)NCC(O)C2CC2)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide?
The InChIKey is FNUPVSFATLLWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-6-10-5-9(3-4-14-10)12(17)15-7-11(16)8-1-2-8/h3-5,8,11,16H,1-2,6-7,13H2,(H,15,17).
What are the key properties of 2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114326553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).