N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide

C12H19N3O2 — CID 104593577

IUPACN-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCCNCC(C)O
InChIInChI=1S/C12H19N3O2/c1-9(16)8-13-6-7-15-12(17)11-4-3-5-14-10(11)2/h3-5,9,13,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyPFVKEXPYPKRANB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.09
Rot. Bonds6

About N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide

N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide (PubChem CID 104593577) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide
PubChem CID104593577
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCCNCC(C)O
InChIInChI=1S/C12H19N3O2/c1-9(16)8-13-6-7-15-12(17)11-4-3-5-14-10(11)2/h3-5,9,13,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyPFVKEXPYPKRANB-UHFFFAOYSA-N
XLogP0.09
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide
CID 113430399
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 113440647
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
N-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200
N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide
CID 103876978
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
CID 78950792
N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide
CID 114316893
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104593540

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide (CID 104593577) is N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)NCCNCC(C)O.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide?
The InChIKey is PFVKEXPYPKRANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(16)8-13-6-7-15-12(17)11-4-3-5-14-10(11)2/h3-5,9,13,16H,6-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide?
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 104593577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).