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

C18H19N5O3S — CID 129315615

IUPACN-ethyl-5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
SMILESCCNC(=O)c1nc(-c2cc(-c3cncc(S(C)(=O)=O)c3)ccn2)[nH]c1C
InChIInChI=1S/C18H19N5O3S/c1-4-20-18(24)16-11(2)22-17(23-16)15-8-12(5-6-21-15)13-7-14(10-19-9-13)27(3,25)26/h5-10H,4H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyDNSXVFXRDMTAAX-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.00
Rot. Bonds5

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

N-ethyl-5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide (PubChem CID 129315615) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
PubChem CID129315615
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-ethyl-5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
SMILESCCNC(=O)c1nc(-c2cc(-c3cncc(S(C)(=O)=O)c3)ccn2)[nH]c1C
InChIInChI=1S/C18H19N5O3S/c1-4-20-18(24)16-11(2)22-17(23-16)15-8-12(5-6-21-15)13-7-14(10-19-9-13)27(3,25)26/h5-10H,4H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyDNSXVFXRDMTAAX-UHFFFAOYSA-N
XLogP2.00
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-ethyl-5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
The IUPAC name of N-ethyl-5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide (CID 129315615) is N-ethyl-5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide is CCNC(=O)c1nc(-c2cc(-c3cncc(S(C)(=O)=O)c3)ccn2)[nH]c1C.
What is the InChIKey of N-ethyl-5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
The InChIKey is DNSXVFXRDMTAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-4-20-18(24)16-11(2)22-17(23-16)15-8-12(5-6-21-15)13-7-14(10-19-9-13)27(3,25)26/h5-10H,4H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of N-ethyl-5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
N-ethyl-5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 129315615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).