N-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide

C24H30N4O — CID 59688833

IUPACN-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CCNCC2)nc1
InChIInChI=1S/C24H30N4O/c1-2-3-4-5-20-10-11-23(27-17-20)24(29)28(22-12-14-26-15-13-22)18-21-8-6-19(16-25)7-9-21/h6-11,17,22,26H,2-5,12-15,18H2,1H3
InChIKeyWXUUVYMOELWGLJ-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.08
Rot. Bonds8

About N-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide

N-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide (PubChem CID 59688833) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide
PubChem CID59688833
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CCNCC2)nc1
InChIInChI=1S/C24H30N4O/c1-2-3-4-5-20-10-11-23(27-17-20)24(29)28(22-12-14-26-15-13-22)18-21-8-6-19(16-25)7-9-21/h6-11,17,22,26H,2-5,12-15,18H2,1H3
InChIKeyWXUUVYMOELWGLJ-UHFFFAOYSA-N
XLogP4.08
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[(5-pentylpyridine-2-carbonyl)-piperidin-4-ylamino]methyl]benzoate;2,2,2-trifluoroacetic acid
CID 69278657
N-[(4-cyanophenyl)methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide
CID 172941568
5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 63724074
N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide
CID 11628017
N-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70326029
5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 63724260
methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate
CID 134023429
N-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide
CID 11642380
N-butyl-5-cyano-N-ethylpyridine-2-carboxamide
CID 63719310
N-[[4-[2-(6-methoxycyclohexa-2,4-dien-1-yl)ethylcarbamoyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide
CID 70326077
N-(2-bromoethyl)-5-cyano-N-cyclopropylpyridine-2-carboxamide
CID 80665123
4-heptylbenzonitrile
CID 575863

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide (CID 59688833) is N-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide is CCCCCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CCNCC2)nc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide?
The InChIKey is WXUUVYMOELWGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-2-3-4-5-20-10-11-23(27-17-20)24(29)28(22-12-14-26-15-13-22)18-21-8-6-19(16-25)7-9-21/h6-11,17,22,26H,2-5,12-15,18H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide?
N-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 59688833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).