2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide

C21H25N5O4S — CID 59085787

IUPAC2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
SMILESCc1nc2ccc(CNC(=O)Cn3c(C)cc(S(=O)(=O)CC4CC4)c(N)c3=O)cc2[nH]1
InChIInChI=1S/C21H25N5O4S/c1-12-7-18(31(29,30)11-14-3-4-14)20(22)21(28)26(12)10-19(27)23-9-15-5-6-16-17(8-15)25-13(2)24-16/h5-8,14H,3-4,9-11,22H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyWCNDOCLOUIQGNV-UHFFFAOYSA-N
MW443.53 g/mol
LogP1.42
Rot. Bonds7

About 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide

2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide (PubChem CID 59085787) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
PubChem CID59085787
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC Name2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
SMILESCc1nc2ccc(CNC(=O)Cn3c(C)cc(S(=O)(=O)CC4CC4)c(N)c3=O)cc2[nH]1
InChIInChI=1S/C21H25N5O4S/c1-12-7-18(31(29,30)11-14-3-4-14)20(22)21(28)26(12)10-19(27)23-9-15-5-6-16-17(8-15)25-13(2)24-16/h5-8,14H,3-4,9-11,22H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyWCNDOCLOUIQGNV-UHFFFAOYSA-N
XLogP1.42
TPSA139.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide
CID 59085649
2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-imidazo[4,5-b]pyridin-3-ium-5-ylmethyl)acetamide
CID 123739497
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 74246041
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea
CID 110775448
4-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172671485
2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 99983930
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 90652899
1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 115182270

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide (CID 59085787) is 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide is Cc1nc2ccc(CNC(=O)Cn3c(C)cc(S(=O)(=O)CC4CC4)c(N)c3=O)cc2[nH]1.
What is the InChIKey of 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide?
The InChIKey is WCNDOCLOUIQGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-12-7-18(31(29,30)11-14-3-4-14)20(22)21(28)26(12)10-19(27)23-9-15-5-6-16-17(8-15)25-13(2)24-16/h5-8,14H,3-4,9-11,22H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide?
2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide has a molecular weight of 443.53 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide is sourced from PubChem (CID 59085787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).