N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide

C21H18N4O2 — CID 140801880

IUPACN-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide
SMILES[H]/N=C(/NC(=O)C(NC(=O)c1cccnc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N4O2/c22-19(16-10-5-2-6-11-16)25-21(27)18(15-8-3-1-4-9-15)24-20(26)17-12-7-13-23-14-17/h1-14,18H,(H,24,26)(H2,22,25,27)
InChIKeyLIKCMIFGUVZMSC-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.69
Rot. Bonds5

About N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide

N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide (PubChem CID 140801880) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide
PubChem CID140801880
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide
SMILES[H]/N=C(/NC(=O)C(NC(=O)c1cccnc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N4O2/c22-19(16-10-5-2-6-11-16)25-21(27)18(15-8-3-1-4-9-15)24-20(26)17-12-7-13-23-14-17/h1-14,18H,(H,24,26)(H2,22,25,27)
InChIKeyLIKCMIFGUVZMSC-UHFFFAOYSA-N
XLogP2.69
TPSA94.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(benzenecarboximidoylamino)-1-(3-bromophenyl)-2-oxoethyl]-3-chlorobenzamide
CID 140801881
N-(2-bromo-1-phenylethyl)pyridine-3-carboxamide
CID 113274720
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
methyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 75356599
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
butyl N-(pyridine-3-carboximidoyl)carbamate
CID 173285765
2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid
CID 113278603
N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
CID 4534244
N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide
CID 82117028
N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 110286640
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
N-methylpyridine-3-carboxamide chloride
CID 20976730

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide (CID 140801880) is N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide is [H]/N=C(/NC(=O)C(NC(=O)c1cccnc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide?
The InChIKey is LIKCMIFGUVZMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c22-19(16-10-5-2-6-11-16)25-21(27)18(15-8-3-1-4-9-15)24-20(26)17-12-7-13-23-14-17/h1-14,18H,(H,24,26)(H2,22,25,27).
What are the key properties of N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide?
N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 140801880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).