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

C22H25N5O3 — CID 92632216

IUPAC1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide
SMILESC[C@H](NC(=O)Cn1cc(C(=O)NC2CCCC2)ccc1=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H25N5O3/c1-14(21-25-17-8-4-5-9-18(17)26-21)23-19(28)13-27-12-15(10-11-20(27)29)22(30)24-16-6-2-3-7-16/h4-5,8-12,14,16H,2-3,6-7,13H2,1H3,(H,23,28)(H,24,30)(H,25,26)/t14-/m0/s1
InChIKeyGUGPOZFULJFZBB-AWEZNQCLSA-N
MW407.47 g/mol
LogP2.27
Rot. Bonds6

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

1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide (PubChem CID 92632216) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide
PubChem CID92632216
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide
SMILESC[C@H](NC(=O)Cn1cc(C(=O)NC2CCCC2)ccc1=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H25N5O3/c1-14(21-25-17-8-4-5-9-18(17)26-21)23-19(28)13-27-12-15(10-11-20(27)29)22(30)24-16-6-2-3-7-16/h4-5,8-12,14,16H,2-3,6-7,13H2,1H3,(H,23,28)(H,24,30)(H,25,26)/t14-/m0/s1
InChIKeyGUGPOZFULJFZBB-AWEZNQCLSA-N
XLogP2.27
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 110247005
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92634507
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92634562
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95233258
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 18116306
1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110246999
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 118767536
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18116519
N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765621
3-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]-N-cyclopropylbenzamide
CID 17479561

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide (CID 92632216) is 1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide is C[C@H](NC(=O)Cn1cc(C(=O)NC2CCCC2)ccc1=O)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide?
The InChIKey is GUGPOZFULJFZBB-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14(21-25-17-8-4-5-9-18(17)26-21)23-19(28)13-27-12-15(10-11-20(27)29)22(30)24-16-6-2-3-7-16/h4-5,8-12,14,16H,2-3,6-7,13H2,1H3,(H,23,28)(H,24,30)(H,25,26)/t14-/m0/s1.
What are the key properties of 1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide?
1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 92632216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).