2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide

C11H17N3O3 — CID 113277862

IUPAC2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCC(O)CNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C11H17N3O3/c1-17-7-10(15)6-14-11(16)8-2-3-13-9(4-8)5-12/h2-4,10,15H,5-7,12H2,1H3,(H,14,16)
InChIKeyVHVXUBJRKHNSBX-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.72
Rot. Bonds6

About 2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide (PubChem CID 113277862) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide
PubChem CID113277862
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCC(O)CNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C11H17N3O3/c1-17-7-10(15)6-14-11(16)8-2-3-13-9(4-8)5-12/h2-4,10,15H,5-7,12H2,1H3,(H,14,16)
InChIKeyVHVXUBJRKHNSBX-UHFFFAOYSA-N
XLogP-0.72
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 104844539
2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 104844460
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 114326285
2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 113277873
2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
CID 114326553
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 114325701
(3S)-3-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]-5-methylhexanoic acid
CID 114326702
2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
N-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide
CID 107030584
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone
CID 116601798

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide (CID 113277862) is 2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide is COCC(O)CNC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide?
The InChIKey is VHVXUBJRKHNSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-17-7-10(15)6-14-11(16)8-2-3-13-9(4-8)5-12/h2-4,10,15H,5-7,12H2,1H3,(H,14,16).
What are the key properties of 2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 113277862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).