N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide

C23H22N4O2 — CID 7389314

IUPACN-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCN(C(=O)c1ccccn1)[C@H](C(=O)NCc1ccccc1)c1cccnc1
InChIInChI=1S/C23H22N4O2/c1-2-15-27(23(29)20-12-6-7-14-25-20)21(19-11-8-13-24-17-19)22(28)26-16-18-9-4-3-5-10-18/h2-14,17,21H,1,15-16H2,(H,26,28)/t21-/m0/s1
InChIKeyAOHQQLVMXMWQRO-NRFANRHFSA-N
MW386.46 g/mol
LogP3.16
Rot. Bonds8

About N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide

N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 7389314) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide
PubChem CID7389314
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCN(C(=O)c1ccccn1)[C@H](C(=O)NCc1ccccc1)c1cccnc1
InChIInChI=1S/C23H22N4O2/c1-2-15-27(23(29)20-12-6-7-14-25-20)21(19-11-8-13-24-17-19)22(28)26-16-18-9-4-3-5-10-18/h2-14,17,21H,1,15-16H2,(H,26,28)/t21-/m0/s1
InChIKeyAOHQQLVMXMWQRO-NRFANRHFSA-N
XLogP3.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 51552847
(2R)-2-(diethylamino)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 95151104
N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 3216656
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 51552695
N-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide
CID 22298699
N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 1466064
[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687864
[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687865
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 51508354
N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 51687295
N-[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 51552633
N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409246

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide (CID 7389314) is N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide is C=CCN(C(=O)c1ccccn1)[C@H](C(=O)NCc1ccccc1)c1cccnc1.
What is the InChIKey of N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is AOHQQLVMXMWQRO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-2-15-27(23(29)20-12-6-7-14-25-20)21(19-11-8-13-24-17-19)22(28)26-16-18-9-4-3-5-10-18/h2-14,17,21H,1,15-16H2,(H,26,28)/t21-/m0/s1.
What are the key properties of N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide?
N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 7389314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).