N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C21H22N4O3 — CID 3236617

IUPACN-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC=C(n3c(=O)[nH]c4ccccc43)CC2)cc1
InChIInChI=1S/C21H22N4O3/c1-2-28-17-9-7-15(8-10-17)22-20(26)24-13-11-16(12-14-24)25-19-6-4-3-5-18(19)23-21(25)27/h3-11H,2,12-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyPNNCMAOLQWJKDK-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.51
Rot. Bonds4

About N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 3236617) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID3236617
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC=C(n3c(=O)[nH]c4ccccc43)CC2)cc1
InChIInChI=1S/C21H22N4O3/c1-2-28-17-9-7-15(8-10-17)22-20(26)24-13-11-16(12-14-24)25-19-6-4-3-5-18(19)23-21(25)27/h3-11H,2,12-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyPNNCMAOLQWJKDK-UHFFFAOYSA-N
XLogP3.51
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 3236617) is N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is CCOc1ccc(NC(=O)N2CC=C(n3c(=O)[nH]c4ccccc43)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is PNNCMAOLQWJKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-2-28-17-9-7-15(8-10-17)22-20(26)24-13-11-16(12-14-24)25-19-6-4-3-5-18(19)23-21(25)27/h3-11H,2,12-14H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 3236617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).