N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide

C17H20N4O3S — CID 97207809

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(-c2cccnc2)nc1C)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H20N4O3S/c1-3-21(14-6-8-25(23,24)11-14)17(22)15-10-19-16(20-12(15)2)13-5-4-7-18-9-13/h4-5,7,9-10,14H,3,6,8,11H2,1-2H3/t14-/m0/s1
InChIKeyMNEXTJZEHWHSQH-AWEZNQCLSA-N
MW360.44 g/mol
LogP1.50
Rot. Bonds4

About N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 97207809) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID97207809
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(-c2cccnc2)nc1C)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H20N4O3S/c1-3-21(14-6-8-25(23,24)11-14)17(22)15-10-19-16(20-12(15)2)13-5-4-7-18-9-13/h4-5,7,9-10,14H,3,6,8,11H2,1-2H3/t14-/m0/s1
InChIKeyMNEXTJZEHWHSQH-AWEZNQCLSA-N
XLogP1.50
TPSA93.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72897581
2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
CID 110299246
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 97319612
(1-ethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 156604128
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methylquinoxaline-2-carboxamide
CID 110853820
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 110704612
N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 112808581
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 96574310
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 72852863
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701040
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 97207809) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide is CCN(C(=O)c1cnc(-c2cccnc2)nc1C)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is MNEXTJZEHWHSQH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-3-21(14-6-8-25(23,24)11-14)17(22)15-10-19-16(20-12(15)2)13-5-4-7-18-9-13/h4-5,7,9-10,14H,3,6,8,11H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 97207809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).