N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide

C12H18N4O3 — CID 103895646

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C12H18N4O3/c1-15(2)12(19)14-6-5-13-11(18)9-4-7-16(3)10(17)8-9/h4,7-8H,5-6H2,1-3H3,(H,13,18)(H,14,19)
InChIKeySVOAEWNHCFXNNF-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.61
Rot. Bonds4

About N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 103895646) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID103895646
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C12H18N4O3/c1-15(2)12(19)14-6-5-13-11(18)9-4-7-16(3)10(17)8-9/h4,7-8H,5-6H2,1-3H3,(H,13,18)(H,14,19)
InChIKeySVOAEWNHCFXNNF-UHFFFAOYSA-N
XLogP-0.61
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
N,N,1-trimethyl-2-oxopyridine-4-carboxamide
CID 60735672
N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103719329
4-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbenzamide
CID 83109029
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-3-hydroxybenzamide
CID 103958299
N-[2-(furan-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 113221314
N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103082580
3-[2-(dimethylcarbamoylamino)ethylcarbamoyl]benzoic acid
CID 83115246
N-ethyl-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 103612566
3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide
CID 83107775

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 103895646) is N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide is CN(C)C(=O)NCCNC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is SVOAEWNHCFXNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-15(2)12(19)14-6-5-13-11(18)9-4-7-16(3)10(17)8-9/h4,7-8H,5-6H2,1-3H3,(H,13,18)(H,14,19).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 103895646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).