2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide

C17H18N6O2 — CID 10427243

IUPAC2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide
SMILESCCNC(=O)Nc1nc2c(C(=O)NC)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C17H18N6O2/c1-3-20-17(25)23-16-21-13-8-11(10-5-4-6-19-9-10)7-12(14(13)22-16)15(24)18-2/h4-9H,3H2,1-2H3,(H,18,24)(H3,20,21,22,23,25)
InChIKeyVJBJRURYRWMPOS-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.13
Rot. Bonds4

About 2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide

2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide (PubChem CID 10427243) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide
PubChem CID10427243
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide
SMILESCCNC(=O)Nc1nc2c(C(=O)NC)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C17H18N6O2/c1-3-20-17(25)23-16-21-13-8-11(10-5-4-6-19-9-10)7-12(14(13)22-16)15(24)18-2/h4-9H,3H2,1-2H3,(H,18,24)(H3,20,21,22,23,25)
InChIKeyVJBJRURYRWMPOS-UHFFFAOYSA-N
XLogP2.13
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-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 2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide (CID 10427243) is 2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide is CCNC(=O)Nc1nc2c(C(=O)NC)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is VJBJRURYRWMPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-3-20-17(25)23-16-21-13-8-11(10-5-4-6-19-9-10)7-12(14(13)22-16)15(24)18-2/h4-9H,3H2,1-2H3,(H,18,24)(H3,20,21,22,23,25).
What are the key properties of 2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)-N-methyl-6-pyridin-3-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10427243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).