N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide

C27H34N6O2 — CID 66710694

IUPACN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)c2ccc(C(=O)NC3CCN(Cc4ccc(C#N)cc4)CC3)nc2)CC1
InChIInChI=1S/C27H34N6O2/c1-20(2)32-13-15-33(16-14-32)27(35)23-7-8-25(29-18-23)26(34)30-24-9-11-31(12-10-24)19-22-5-3-21(17-28)4-6-22/h3-8,18,20,24H,9-16,19H2,1-2H3,(H,30,34)
InChIKeySXPSAQUONWUCPN-UHFFFAOYSA-N
MW474.61 g/mol
LogP2.51
Rot. Bonds6

About N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide

N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 66710694) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
PubChem CID66710694
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC NameN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)c2ccc(C(=O)NC3CCN(Cc4ccc(C#N)cc4)CC3)nc2)CC1
InChIInChI=1S/C27H34N6O2/c1-20(2)32-13-15-33(16-14-32)27(35)23-7-8-25(29-18-23)26(34)30-24-9-11-31(12-10-24)19-22-5-3-21(17-28)4-6-22/h3-8,18,20,24H,9-16,19H2,1-2H3,(H,30,34)
InChIKeySXPSAQUONWUCPN-UHFFFAOYSA-N
XLogP2.51
TPSA92.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide (CID 66710694) is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide is CC(C)N1CCN(C(=O)c2ccc(C(=O)NC3CCN(Cc4ccc(C#N)cc4)CC3)nc2)CC1.
What is the InChIKey of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is SXPSAQUONWUCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-20(2)32-13-15-33(16-14-32)27(35)23-7-8-25(29-18-23)26(34)30-24-9-11-31(12-10-24)19-22-5-3-21(17-28)4-6-22/h3-8,18,20,24H,9-16,19H2,1-2H3,(H,30,34).
What are the key properties of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide?
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 66710694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).