4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide

C22H26N4O2 — CID 126437733

IUPAC4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
SMILESN#Cc1ccc(-c2ccc(C(=O)NCCCN3CCCC[C@@H]3CO)cc2)cn1
InChIInChI=1S/C22H26N4O2/c23-14-20-10-9-19(15-25-20)17-5-7-18(8-6-17)22(28)24-11-3-13-26-12-2-1-4-21(26)16-27/h5-10,15,21,27H,1-4,11-13,16H2,(H,24,28)/t21-/m1/s1
InChIKeyKJHJHKFKBZGULQ-OAQYLSRUSA-N
MW378.48 g/mol
LogP2.59
Rot. Bonds7

About 4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide

4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide (PubChem CID 126437733) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
PubChem CID126437733
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
SMILESN#Cc1ccc(-c2ccc(C(=O)NCCCN3CCCC[C@@H]3CO)cc2)cn1
InChIInChI=1S/C22H26N4O2/c23-14-20-10-9-19(15-25-20)17-5-7-18(8-6-17)22(28)24-11-3-13-26-12-2-1-4-21(26)16-27/h5-10,15,21,27H,1-4,11-13,16H2,(H,24,28)/t21-/m1/s1
InChIKeyKJHJHKFKBZGULQ-OAQYLSRUSA-N
XLogP2.59
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 126442623
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-pyrazolo[1,5-a]pyridin-3-ylbenzamide
CID 125446361
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553
4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 119074698
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 131913136
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126434930
3-(3-fluoro-4-pyridinyl)-N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 125156131
N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97126657
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide
CID 125163852
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 100629368

Frequently Asked Questions

What is the IUPAC name of 4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide?
The IUPAC name of 4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide (CID 126437733) is 4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide?
The canonical SMILES for 4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide is N#Cc1ccc(-c2ccc(C(=O)NCCCN3CCCC[C@@H]3CO)cc2)cn1.
What is the InChIKey of 4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide?
The InChIKey is KJHJHKFKBZGULQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26N4O2/c23-14-20-10-9-19(15-25-20)17-5-7-18(8-6-17)22(28)24-11-3-13-26-12-2-1-4-21(26)16-27/h5-10,15,21,27H,1-4,11-13,16H2,(H,24,28)/t21-/m1/s1.
What are the key properties of 4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide?
4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide has a molecular weight of 378.48 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 126437733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).