N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide

C22H27N3O2 — CID 71884193

IUPACN-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCCCCCC1)c1cccnc1
InChIInChI=1S/C22H27N3O2/c26-21(19-12-9-13-23-17-19)24-20(16-18-10-5-4-6-11-18)22(27)25-14-7-2-1-3-8-15-25/h4-6,9-13,17,20H,1-3,7-8,14-16H2,(H,24,26)
InChIKeySJHGUVDBWJWMSJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.22
Rot. Bonds5

About N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide

N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide (PubChem CID 71884193) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
PubChem CID71884193
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCCCCCC1)c1cccnc1
InChIInChI=1S/C22H27N3O2/c26-21(19-12-9-13-23-17-19)24-20(16-18-10-5-4-6-11-18)22(27)25-14-7-2-1-3-8-15-25/h4-6,9-13,17,20H,1-3,7-8,14-16H2,(H,24,26)
InChIKeySJHGUVDBWJWMSJ-UHFFFAOYSA-N
XLogP3.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
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3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
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3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride
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4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
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N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
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N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 29147511
N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 51102650
N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 166200211
N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
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N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide (CID 71884193) is N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide is O=C(NC(Cc1ccccc1)C(=O)N1CCCCCCC1)c1cccnc1.
What is the InChIKey of N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?
The InChIKey is SJHGUVDBWJWMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21(19-12-9-13-23-17-19)24-20(16-18-10-5-4-6-11-18)22(27)25-14-7-2-1-3-8-15-25/h4-6,9-13,17,20H,1-3,7-8,14-16H2,(H,24,26).
What are the key properties of N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?
N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71884193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).