N,5-dimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide

C17H17N5O3S — CID 129315492

IUPACN,5-dimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
SMILESCNC(=O)c1nc(-c2cc(-c3cncc(S(C)(=O)=O)c3)ccn2)[nH]c1C
InChIInChI=1S/C17H17N5O3S/c1-10-15(17(23)18-2)22-16(21-10)14-7-11(4-5-20-14)12-6-13(9-19-8-12)26(3,24)25/h4-9H,1-3H3,(H,18,23)(H,21,22)
InChIKeyCEGSXSZXSZPBRW-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.61
Rot. Bonds4

About N,5-dimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide

N,5-dimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide (PubChem CID 129315492) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N,5-dimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
PubChem CID129315492
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN,5-dimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
SMILESCNC(=O)c1nc(-c2cc(-c3cncc(S(C)(=O)=O)c3)ccn2)[nH]c1C
InChIInChI=1S/C17H17N5O3S/c1-10-15(17(23)18-2)22-16(21-10)14-7-11(4-5-20-14)12-6-13(9-19-8-12)26(3,24)25/h4-9H,1-3H3,(H,18,23)(H,21,22)
InChIKeyCEGSXSZXSZPBRW-UHFFFAOYSA-N
XLogP1.61
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide (CID 129315492) is N,5-dimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide is CNC(=O)c1nc(-c2cc(-c3cncc(S(C)(=O)=O)c3)ccn2)[nH]c1C.
What is the InChIKey of N,5-dimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
The InChIKey is CEGSXSZXSZPBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-10-15(17(23)18-2)22-16(21-10)14-7-11(4-5-20-14)12-6-13(9-19-8-12)26(3,24)25/h4-9H,1-3H3,(H,18,23)(H,21,22).
What are the key properties of N,5-dimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
N,5-dimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 129315492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).