N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C26H27N3O3 — CID 3216656

IUPACN-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)C(c1ccccc1)N(CC1CCCO1)C(=O)c1ccccn1
InChIInChI=1S/C26H27N3O3/c30-25(28-18-20-10-3-1-4-11-20)24(21-12-5-2-6-13-21)29(19-22-14-9-17-32-22)26(31)23-15-7-8-16-27-23/h1-8,10-13,15-16,22,24H,9,14,17-19H2,(H,28,30)
InChIKeyIMUMFQSYOWQWGR-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.76
Rot. Bonds8

About N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 3216656) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID3216656
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)C(c1ccccc1)N(CC1CCCO1)C(=O)c1ccccn1
InChIInChI=1S/C26H27N3O3/c30-25(28-18-20-10-3-1-4-11-20)24(21-12-5-2-6-13-21)29(19-22-14-9-17-32-22)26(31)23-15-7-8-16-27-23/h1-8,10-13,15-16,22,24H,9,14,17-19H2,(H,28,30)
InChIKeyIMUMFQSYOWQWGR-UHFFFAOYSA-N
XLogP3.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 40819241
N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-prop-2-enylpyridine-2-carboxamide
CID 7389314
N-[(1R)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 1466064
2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-benzyl-2-(2-fluorophenyl)acetamide
CID 3197742
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide
CID 133237090
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 3206147
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 51552847
N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109185160
3-benzyl-1-[(2-hydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 42996165
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide
CID 7099177
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide
CID 3222543

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 3216656) is N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccccc1)C(c1ccccc1)N(CC1CCCO1)C(=O)c1ccccn1.
What is the InChIKey of N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is IMUMFQSYOWQWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c30-25(28-18-20-10-3-1-4-11-20)24(21-12-5-2-6-13-21)29(19-22-14-9-17-32-22)26(31)23-15-7-8-16-27-23/h1-8,10-13,15-16,22,24H,9,14,17-19H2,(H,28,30).
What are the key properties of N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 3216656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).