N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide

C26H21FN4O2 — CID 51552847

IUPACN-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H](c1cccnc1)N(C(=O)c1ccccn1)c1ccccc1F
InChIInChI=1S/C26H21FN4O2/c27-21-12-4-5-14-23(21)31(26(33)22-13-6-7-16-29-22)24(20-11-8-15-28-18-20)25(32)30-17-19-9-2-1-3-10-19/h1-16,18,24H,17H2,(H,30,32)/t24-/m1/s1
InChIKeyZSBALZSTBPSMIZ-XMMPIXPASA-N
MW440.48 g/mol
LogP4.32
Rot. Bonds7

About N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide

N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 51552847) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide
PubChem CID51552847
Molecular FormulaC26H21FN4O2
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC NameN-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H](c1cccnc1)N(C(=O)c1ccccn1)c1ccccc1F
InChIInChI=1S/C26H21FN4O2/c27-21-12-4-5-14-23(21)31(26(33)22-13-6-7-16-29-22)24(20-11-8-15-28-18-20)25(32)30-17-19-9-2-1-3-10-19/h1-16,18,24H,17H2,(H,30,32)/t24-/m1/s1
InChIKeyZSBALZSTBPSMIZ-XMMPIXPASA-N
XLogP4.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 43813426
N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide
CID 7389314
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 51508354
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 51552695
N-[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 51552633
N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 51686578
N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 51687295
N-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide
CID 22298699
N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 3216656
N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 1466064
(2R)-2-(diethylamino)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 95151104
N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[4-(dimethylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 3188500

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide (CID 51552847) is N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide is O=C(NCc1ccccc1)[C@@H](c1cccnc1)N(C(=O)c1ccccn1)c1ccccc1F.
What is the InChIKey of N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is ZSBALZSTBPSMIZ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H21FN4O2/c27-21-12-4-5-14-23(21)31(26(33)22-13-6-7-16-29-22)24(20-11-8-15-28-18-20)25(32)30-17-19-9-2-1-3-10-19/h1-16,18,24H,17H2,(H,30,32)/t24-/m1/s1.
What are the key properties of N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide?
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 51552847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).