N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide

C22H27N5O — CID 133445496

IUPACN-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC(n3c(CC)nc4ccccc43)CC2)nc1
InChIInChI=1S/C22H27N5O/c1-3-20-25-18-7-5-6-8-19(18)27(20)17-11-13-26(14-12-17)21-10-9-16(15-24-21)22(28)23-4-2/h5-10,15,17H,3-4,11-14H2,1-2H3,(H,23,28)
InChIKeyLJZYWLAWUOUJND-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.58
Rot. Bonds5

About N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide

N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133445496) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133445496
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC(n3c(CC)nc4ccccc43)CC2)nc1
InChIInChI=1S/C22H27N5O/c1-3-20-25-18-7-5-6-8-19(18)27(20)17-11-13-26(14-12-17)21-10-9-16(15-24-21)22(28)23-4-2/h5-10,15,17H,3-4,11-14H2,1-2H3,(H,23,28)
InChIKeyLJZYWLAWUOUJND-UHFFFAOYSA-N
XLogP3.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]quinoline
CID 133445520
2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole
CID 127733592
1-[3-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-4-methylsulfonylphenyl]ethanone
CID 133463109
2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole
CID 133445454
4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 133445384
(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 129393280
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110712108
(2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride
CID 120873998
6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133445310
1-[3-[4-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 75399301
N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide
CID 133422228
N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105098

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide (CID 133445496) is N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide is CCNC(=O)c1ccc(N2CCC(n3c(CC)nc4ccccc43)CC2)nc1.
What is the InChIKey of N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is LJZYWLAWUOUJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-3-20-25-18-7-5-6-8-19(18)27(20)17-11-13-26(14-12-17)21-10-9-16(15-24-21)22(28)23-4-2/h5-10,15,17H,3-4,11-14H2,1-2H3,(H,23,28).
What are the key properties of N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide?
N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133445496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).