N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide

C14H13N5O2 — CID 61067307

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=O)cn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H13N5O2/c1-8(13-18-9-4-2-3-5-10(9)19-13)17-14(21)11-6-16-12(20)7-15-11/h2-8H,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyOYGZIHCZRFHWEN-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.14
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 61067307) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID61067307
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=O)cn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H13N5O2/c1-8(13-18-9-4-2-3-5-10(9)19-13)17-14(21)11-6-16-12(20)7-15-11/h2-8H,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyOYGZIHCZRFHWEN-UHFFFAOYSA-N
XLogP1.14
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 60674523
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid
CID 99945716
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide
CID 110468003
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18116503
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95233258

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 61067307) is N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide is CC(NC(=O)c1c[nH]c(=O)cn1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is OYGZIHCZRFHWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-8(13-18-9-4-2-3-5-10(9)19-13)17-14(21)11-6-16-12(20)7-15-11/h2-8H,1H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 61067307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).