N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide

C24H22FN5O3 — CID 92634562

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H22FN5O3/c1-15(23-28-19-4-2-3-5-20(19)29-23)27-24(33)17-8-11-22(32)30(13-17)14-21(31)26-12-16-6-9-18(25)10-7-16/h2-11,13,15H,12,14H2,1H3,(H,26,31)(H,27,33)(H,28,29)/t15-/m1/s1
InChIKeyBOBOCJBTJVWNCV-OAHLLOKOSA-N
MW447.47 g/mol
LogP2.67
Rot. Bonds7

About N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (PubChem CID 92634562) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
PubChem CID92634562
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H22FN5O3/c1-15(23-28-19-4-2-3-5-20(19)29-23)27-24(33)17-8-11-22(32)30(13-17)14-21(31)26-12-16-6-9-18(25)10-7-16/h2-11,13,15H,12,14H2,1H3,(H,26,31)(H,27,33)(H,28,29)/t15-/m1/s1
InChIKeyBOBOCJBTJVWNCV-OAHLLOKOSA-N
XLogP2.67
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92634507
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-methyl-6-oxopyridine-3-carboxamide
CID 95233258
1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide
CID 92632216
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92635730
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-4-fluorobenzamide
CID 92634721
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 110082547
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 18116306
1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 92635819
1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 70972239

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (CID 92634562) is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is BOBOCJBTJVWNCV-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-15(23-28-19-4-2-3-5-20(19)29-23)27-24(33)17-8-11-22(32)30(13-17)14-21(31)26-12-16-6-9-18(25)10-7-16/h2-11,13,15H,12,14H2,1H3,(H,26,31)(H,27,33)(H,28,29)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 92634562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).