N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide

C18H20N4O3 — CID 90650071

IUPACN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C18H20N4O3/c1-4-25-17-13(6-5-9-19-17)16(23)20-11-12-7-8-14-15(10-12)22(3)18(24)21(14)2/h5-10H,4,11H2,1-3H3,(H,20,23)
InChIKeyXKOOBSQHHKWHAM-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.60
Rot. Bonds5

About N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide (PubChem CID 90650071) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide
PubChem CID90650071
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C18H20N4O3/c1-4-25-17-13(6-5-9-19-17)16(23)20-11-12-7-8-14-15(10-12)22(3)18(24)21(14)2/h5-10H,4,11H2,1-3H3,(H,20,23)
InChIKeyXKOOBSQHHKWHAM-UHFFFAOYSA-N
XLogP1.60
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide
CID 5305578
2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 55886671
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
CID 42007122
4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247313
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide
CID 110785347
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72862412
methyl 2-[(2-ethoxypyridine-3-carbonyl)amino]acetate
CID 27682250
1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea
CID 110775432
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511
2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide
CID 155911363

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide (CID 90650071) is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)NCc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is XKOOBSQHHKWHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-4-25-17-13(6-5-9-19-17)16(23)20-11-12-7-8-14-15(10-12)22(3)18(24)21(14)2/h5-10H,4,11H2,1-3H3,(H,20,23).
What are the key properties of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide?
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 90650071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).