N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-3-carboxamide

C16H20N4O3 — CID 162628207

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)ccc1C(=O)NCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C16H20N4O3/c1-4-13-12(5-6-14(21)19-13)15(22)17-7-8-20-11(3)9-10(2)18-16(20)23/h5-6,9H,4,7-8H2,1-3H3,(H,17,22)(H,19,21)
InChIKeyIIJPXYILDCFBLQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.54
Rot. Bonds5

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-3-carboxamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 162628207) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID162628207
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)ccc1C(=O)NCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C16H20N4O3/c1-4-13-12(5-6-14(21)19-13)15(22)17-7-8-20-11(3)9-10(2)18-16(20)23/h5-6,9H,4,7-8H2,1-3H3,(H,17,22)(H,19,21)
InChIKeyIIJPXYILDCFBLQ-UHFFFAOYSA-N
XLogP0.54
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2Z,4E)-3-amino-2-ethenyl-N-[(2Z,4Z,6E)-7-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]hepta-2,4,6-trien-3-yl]hexa-2,4-dienamide
CID 87073948
6-[2-(methylamino)propylamino]-3-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-1H-pyridin-2-one
CID 123229958
(E)-N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-[[(3E)-4-methylhepta-3,5-dien-2-ylidene]amino]ethenyl]but-2-enamide
CID 123748833
2-(methylamino)-N-[5-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]propanamide
CID 123759576
(Z)-5-[acetyl(ethenyl)amino]-N-[(E)-3-[[(E)-1-aminobut-2-enylidene]amino]but-2-enyl]-2-methylidene-4-(methylideneamino)pent-3-enamide
CID 124181279
(Z)-4-(methylamino)-2-methylidene-5-(7-methyl-3-oxoisoquinolin-2-yl)-N-[(E)-2-methyl-3-(propan-2-ylideneamino)but-2-enyl]pent-3-enamide
CID 126746054
(Z)-5-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylimino]-2-ethylidenehex-3-enamide
CID 137167181
5-amino-N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z)-2-ethyliminopent-3-enyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 144236596
N-(2-aminocyclohexa-2,4-dien-1-yl)-3-[[3-(dipropylamino)propyl-(propan-2-ylcarbamoyl)amino]methyl]-2,3-dihydropyridine-6-carboxamide
CID 145482070
3-[[(3-acetylcyclohexa-2,4-dien-1-yl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]-N-(2-aminocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine-6-carboxamide
CID 145488598
ethane;(2E,3Z)-2-ethylidene-N,N-dimethyl-5-[4-[(2E,5E)-2-methyl-5-[4-(methylamino)-2-oxo-1-pyridinyl]-4-methylidene-7-methyliminohepta-2,5-dienyl]piperazin-1-yl]hexa-3,5-dienamide
CID 177353173
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 39994544

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-3-carboxamide (CID 162628207) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-3-carboxamide is CCc1[nH]c(=O)ccc1C(=O)NCCn1c(C)cc(C)nc1=O.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IIJPXYILDCFBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-4-13-12(5-6-14(21)19-13)15(22)17-7-8-20-11(3)9-10(2)18-16(20)23/h5-6,9H,4,7-8H2,1-3H3,(H,17,22)(H,19,21).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 162628207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).