N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide

C23H27N5O3 — CID 110247005

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H27N5O3/c1-15(22-26-18-9-5-6-10-19(18)27-22)24-23(31)16-11-12-21(30)28(13-16)14-20(29)25-17-7-3-2-4-8-17/h5-6,9-13,15,17H,2-4,7-8,14H2,1H3,(H,24,31)(H,25,29)(H,26,27)
InChIKeyOITLPOPLUWSOEE-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.66
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide (PubChem CID 110247005) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
PubChem CID110247005
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H27N5O3/c1-15(22-26-18-9-5-6-10-19(18)27-22)24-23(31)16-11-12-21(30)28(13-16)14-20(29)25-17-7-3-2-4-8-17/h5-6,9-13,15,17H,2-4,7-8,14H2,1H3,(H,24,31)(H,25,29)(H,26,27)
InChIKeyOITLPOPLUWSOEE-UHFFFAOYSA-N
XLogP2.66
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide
CID 92632216
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92634507
1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110246999
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92634562
1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 92634610
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18116519
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609506
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
CID 53410318
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 18116306
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide (CID 110247005) is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide is CC(NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is OITLPOPLUWSOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15(22-26-18-9-5-6-10-19(18)27-22)24-23(31)16-11-12-21(30)28(13-16)14-20(29)25-17-7-3-2-4-8-17/h5-6,9-13,15,17H,2-4,7-8,14H2,1H3,(H,24,31)(H,25,29)(H,26,27).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 110247005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).