N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide

C10H15N3O2 — CID 43600703

IUPACN-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCNCCCNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-11-5-3-7-13-10(15)8-4-2-6-12-9(8)14/h2,4,6,11H,3,5,7H2,1H3,(H,12,14)(H,13,15)
InChIKeyRDOWUPOEOWATQC-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.29
Rot. Bonds5

About N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide

N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 43600703) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID43600703
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCNCCCNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-11-5-3-7-13-10(15)8-4-2-6-12-9(8)14/h2,4,6,11H,3,5,7H2,1H3,(H,12,14)(H,13,15)
InChIKeyRDOWUPOEOWATQC-UHFFFAOYSA-N
XLogP-0.29
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
CID 31842152
N-[2-[di(propan-2-yl)amino]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 34818779
2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825
N-(2-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65110004
2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429539
N-(3-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65037135
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 65284491
N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 115620327
2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide
CID 95619666
N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide
CID 103900087
2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 66167281

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide (CID 43600703) is N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide is CNCCCNC(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RDOWUPOEOWATQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-11-5-3-7-13-10(15)8-4-2-6-12-9(8)14/h2,4,6,11H,3,5,7H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 43600703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).