N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide

C16H17N3O2 — CID 10107876

IUPACN-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C16H17N3O2/c1-12(19-16(21)14-5-3-2-4-6-14)15(20)18-11-13-7-9-17-10-8-13/h2-10,12H,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyJXVNFQHZVFEEOM-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.52
Rot. Bonds5

About N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide

N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide (PubChem CID 10107876) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
PubChem CID10107876
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C16H17N3O2/c1-12(19-16(21)14-5-3-2-4-6-14)15(20)18-11-13-7-9-17-10-8-13/h2-10,12H,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyJXVNFQHZVFEEOM-UHFFFAOYSA-N
XLogP1.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86919506
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
CID 175058891
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 60571476
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide
CID 60571690
N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide
CID 71491154
N-[(2S)-1-[8-[[(2S)-2-benzamidopropanoyl]amino]octylamino]-1-oxopropan-2-yl]benzamide
CID 71491217
N-[(2S)-3-methyl-1-[[4-[[[(2R)-3-methyl-2-(pyridine-4-carbonylamino)butanoyl]amino]methyl]phenyl]methylamino]-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 90148624
N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86981506
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide
CID 52506120
N-[(2R)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95394965
N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18159105

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide?
The IUPAC name of N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide (CID 10107876) is N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide.
What is the SMILES notation for N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide?
The canonical SMILES for N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)NCc1ccncc1.
What is the InChIKey of N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide?
The InChIKey is JXVNFQHZVFEEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12(19-16(21)14-5-3-2-4-6-14)15(20)18-11-13-7-9-17-10-8-13/h2-10,12H,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide?
N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide is sourced from PubChem (CID 10107876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).