N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide

C15H18N6O4S — CID 126851452

IUPACN-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
SMILESCn1cc(-c2cc(CNC(=O)N3CCN(S(C)(=O)=O)C3=O)ccn2)cn1
InChIInChI=1S/C15H18N6O4S/c1-19-10-12(9-18-19)13-7-11(3-4-16-13)8-17-14(22)20-5-6-21(15(20)23)26(2,24)25/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,22)
InChIKeyAXEIJKOQZCBQFG-UHFFFAOYSA-N
MW378.41 g/mol
LogP0.39
Rot. Bonds4

About N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide

N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide (PubChem CID 126851452) has the molecular formula C15H18N6O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
PubChem CID126851452
Molecular FormulaC15H18N6O4S
Molecular Weight378.41 g/mol
Exact Mass378.11
IUPAC NameN-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
SMILESCn1cc(-c2cc(CNC(=O)N3CCN(S(C)(=O)=O)C3=O)ccn2)cn1
InChIInChI=1S/C15H18N6O4S/c1-19-10-12(9-18-19)13-7-11(3-4-16-13)8-17-14(22)20-5-6-21(15(20)23)26(2,24)25/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,22)
InChIKeyAXEIJKOQZCBQFG-UHFFFAOYSA-N
XLogP0.39
TPSA117.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 122245890
1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]urea
CID 122245913
1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 122245906
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide
CID 122245887
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide
CID 126853801
3-methyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122245927
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 122245898
3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 126851451
6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 122245900
3-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide
CID 86268217
4-ethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dioxopiperazine-1-carboxamide
CID 122275494
1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 91625719

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide (CID 126851452) is N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide is Cn1cc(-c2cc(CNC(=O)N3CCN(S(C)(=O)=O)C3=O)ccn2)cn1.
What is the InChIKey of N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The InChIKey is AXEIJKOQZCBQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O4S/c1-19-10-12(9-18-19)13-7-11(3-4-16-13)8-17-14(22)20-5-6-21(15(20)23)26(2,24)25/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,22).
What are the key properties of N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 126851452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).