N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C12H19N3O3 — CID 113451622

IUPACN-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNCC(C)O)c(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-8-3-4-10(12(18)15-8)11(17)14-6-5-13-7-9(2)16/h3-4,9,13,16H,5-7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyVUGVYRIWEIOETK-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.62
Rot. Bonds6

About N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 113451622) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID113451622
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNCC(C)O)c(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-8-3-4-10(12(18)15-8)11(17)14-6-5-13-7-9(2)16/h3-4,9,13,16H,5-7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyVUGVYRIWEIOETK-UHFFFAOYSA-N
XLogP-0.62
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113351778
N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113384178
N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95977087
4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 104772766
N-[2-(2-hydroxyethoxy)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115586329
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95988579
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide
CID 104593577
methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 115584292
2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 113451591
N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104593540
N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide
CID 104593838

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 113451622) is N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NCCNCC(C)O)c(=O)[nH]1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VUGVYRIWEIOETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-3-4-10(12(18)15-8)11(17)14-6-5-13-7-9(2)16/h3-4,9,13,16H,5-7H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of -0.62, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 113451622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).