N-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide

C26H32N4O — CID 70326029

IUPACN-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESC=Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CCN(CCC(C)C)CC2)nc1
InChIInChI=1S/C26H32N4O/c1-4-21-9-10-25(28-18-21)26(31)30(19-23-7-5-22(17-27)6-8-23)24-12-15-29(16-13-24)14-11-20(2)3/h4-10,18,20,24H,1,11-16,19H2,2-3H3
InChIKeyRPFYXGDXAQQDOJ-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.75
Rot. Bonds8

About N-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide

N-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 70326029) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide
PubChem CID70326029
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC NameN-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESC=Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CCN(CCC(C)C)CC2)nc1
InChIInChI=1S/C26H32N4O/c1-4-21-9-10-25(28-18-21)26(31)30(19-23-7-5-22(17-27)6-8-23)24-12-15-29(16-13-24)14-11-20(2)3/h4-10,18,20,24H,1,11-16,19H2,2-3H3
InChIKeyRPFYXGDXAQQDOJ-UHFFFAOYSA-N
XLogP4.75
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(5-ethenylpyridine-2-carbonyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]benzoate
CID 70325804
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
N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide
CID 11628017
N-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide
CID 143233493
4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide
CID 70325763
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
5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[methyl-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]amino]phenyl]methyl]pyridine-2-carboxamide
CID 143233462
N-[(4-cyanophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide
CID 59688833
N-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide
CID 11642380
5-ethenyl-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 70326079
N-[[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide
CID 59688855
N-(2-bromoethyl)-5-cyano-N-cyclopropylpyridine-2-carboxamide
CID 80665123

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide (CID 70326029) is N-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide is C=Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CCN(CCC(C)C)CC2)nc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is RPFYXGDXAQQDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-4-21-9-10-25(28-18-21)26(31)30(19-23-7-5-22(17-27)6-8-23)24-12-15-29(16-13-24)14-11-20(2)3/h4-10,18,20,24H,1,11-16,19H2,2-3H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide?
N-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 70326029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).