N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide

C25H32N4O2 — CID 68739288

IUPACN-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCCC(C)NC(=O)c1ccc(N2CCN(C(=O)C3CC3c3ccccc3)CC2)nc1
InChIInChI=1S/C25H32N4O2/c1-3-7-18(2)27-24(30)20-10-11-23(26-17-20)28-12-14-29(15-13-28)25(31)22-16-21(22)19-8-5-4-6-9-19/h4-6,8-11,17-18,21-22H,3,7,12-16H2,1-2H3,(H,27,30)
InChIKeyKHBFCAAACCKURQ-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.45
Rot. Bonds7

About N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide

N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 68739288) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID68739288
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCCC(C)NC(=O)c1ccc(N2CCN(C(=O)C3CC3c3ccccc3)CC2)nc1
InChIInChI=1S/C25H32N4O2/c1-3-7-18(2)27-24(30)20-10-11-23(26-17-20)28-12-14-29(15-13-28)25(31)22-16-21(22)19-8-5-4-6-9-19/h4-6,8-11,17-18,21-22H,3,7,12-16H2,1-2H3,(H,27,30)
InChIKeyKHBFCAAACCKURQ-UHFFFAOYSA-N
XLogP3.45
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide (CID 68739288) is N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide is CCCC(C)NC(=O)c1ccc(N2CCN(C(=O)C3CC3c3ccccc3)CC2)nc1.
What is the InChIKey of N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is KHBFCAAACCKURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-3-7-18(2)27-24(30)20-10-11-23(26-17-20)28-12-14-29(15-13-28)25(31)22-16-21(22)19-8-5-4-6-9-19/h4-6,8-11,17-18,21-22H,3,7,12-16H2,1-2H3,(H,27,30).
What are the key properties of N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide?
N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 68739288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).