N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide

C23H21N5O2 — CID 39669326

IUPACN-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
SMILESCCc1nc2ccccc2n1CC(=O)Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C23H21N5O2/c1-2-21-27-19-10-3-4-11-20(19)28(21)15-22(29)25-17-8-5-9-18(13-17)26-23(30)16-7-6-12-24-14-16/h3-14H,2,15H2,1H3,(H,25,29)(H,26,30)
InChIKeyNBKMYSDFFAVQKX-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.88
Rot. Bonds6

About N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide

N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 39669326) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID39669326
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
SMILESCCc1nc2ccccc2n1CC(=O)Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C23H21N5O2/c1-2-21-27-19-10-3-4-11-20(19)28(21)15-22(29)25-17-8-5-9-18(13-17)26-23(30)16-7-6-12-24-14-16/h3-14H,2,15H2,1H3,(H,25,29)(H,26,30)
InChIKeyNBKMYSDFFAVQKX-UHFFFAOYSA-N
XLogP3.88
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 27335104
N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 55705772
2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39673621
2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide
CID 18680974
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate
CID 16964057
N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029315
N-[6-(diethylamino)-3-pyridinyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 55784403
N,N-dimethyl-3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 33366215
N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108922649
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide (CID 39669326) is N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide is CCc1nc2ccccc2n1CC(=O)Nc1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is NBKMYSDFFAVQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-2-21-27-19-10-3-4-11-20(19)28(21)15-22(29)25-17-8-5-9-18(13-17)26-23(30)16-7-6-12-24-14-16/h3-14H,2,15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide?
N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 39669326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).