N-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide

C25H22N4O3 — CID 22298699

IUPACN-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide
SMILESO=C(NC(c1ccco1)C(C(=O)NCc1ccccc1)c1cccnc1)c1ccccn1
InChIInChI=1S/C25H22N4O3/c30-24(20-11-4-5-14-27-20)29-23(21-12-7-15-32-21)22(19-10-6-13-26-17-19)25(31)28-16-18-8-2-1-3-9-18/h1-15,17,22-23H,16H2,(H,28,31)(H,29,30)
InChIKeyHPPYLOQAIIHLBC-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.64
Rot. Bonds8

About N-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide

N-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide (PubChem CID 22298699) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide
PubChem CID22298699
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide
SMILESO=C(NC(c1ccco1)C(C(=O)NCc1ccccc1)c1cccnc1)c1ccccn1
InChIInChI=1S/C25H22N4O3/c30-24(20-11-4-5-14-27-20)29-23(21-12-7-15-32-21)22(19-10-6-13-26-17-19)25(31)28-16-18-8-2-1-3-9-18/h1-15,17,22-23H,16H2,(H,28,31)(H,29,30)
InChIKeyHPPYLOQAIIHLBC-UHFFFAOYSA-N
XLogP3.64
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(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-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide
CID 7389314
N-[3-(benzylamino)-3-oxo-1,2-dithiophen-2-ylpropyl]pyrazine-2-carboxamide
CID 21156827
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 51552847
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid
CID 82090064
N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 51686578
N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 1466064
N-[(1S,2S)-2-amino-1,2-diphenylethyl]pyridine-2-carboxamide
CID 102488759
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 43600549

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide (CID 22298699) is N-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide is O=C(NC(c1ccco1)C(C(=O)NCc1ccccc1)c1cccnc1)c1ccccn1.
What is the InChIKey of N-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide?
The InChIKey is HPPYLOQAIIHLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c30-24(20-11-4-5-14-27-20)29-23(21-12-7-15-32-21)22(19-10-6-13-26-17-19)25(31)28-16-18-8-2-1-3-9-18/h1-15,17,22-23H,16H2,(H,28,31)(H,29,30).
What are the key properties of N-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide?
N-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide is sourced from PubChem (CID 22298699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).