4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide

C25H33N5O2 — CID 70997266

IUPAC4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCN(C(=O)c2ccc(NCCC3CCCCC3)cc2)CC1
InChIInChI=1S/C25H33N5O2/c31-24(21-8-10-22(11-9-21)27-14-12-20-5-2-1-3-6-20)29-15-17-30(18-16-29)25(32)28-23-7-4-13-26-19-23/h4,7-11,13,19-20,27H,1-3,5-6,12,14-18H2,(H,28,32)
InChIKeyUXCIMHBMIKEHTD-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.45
Rot. Bonds6

About 4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide

4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide (PubChem CID 70997266) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide
PubChem CID70997266
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCN(C(=O)c2ccc(NCCC3CCCCC3)cc2)CC1
InChIInChI=1S/C25H33N5O2/c31-24(21-8-10-22(11-9-21)27-14-12-20-5-2-1-3-6-20)29-15-17-30(18-16-29)25(32)28-23-7-4-13-26-19-23/h4,7-11,13,19-20,27H,1-3,5-6,12,14-18H2,(H,28,32)
InChIKeyUXCIMHBMIKEHTD-UHFFFAOYSA-N
XLogP4.45
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide
CID 67313207
4-[4-(hydroxyamino)-4-oxobutyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 11849007
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 110706402
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
4-iminopent-2-en-2-yl-[4-[4-(pyridin-3-ylcarbamoyl)piperazine-1-carbonyl]phenyl]azanium
CID 163640643
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
3-cyclopentyl-1-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 30854834
4-(4-fluorobenzoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,4-diazepane-1-carboxamide
CID 112829411
N-(2-cycloundecylethyl)cyclodecapentaenamine
CID 155097457
N-(2-cyclodecylethyl)cyclodecapentaenamine
CID 155323771
[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
CID 62205102

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide (CID 70997266) is 4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide is O=C(Nc1cccnc1)N1CCN(C(=O)c2ccc(NCCC3CCCCC3)cc2)CC1.
What is the InChIKey of 4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide?
The InChIKey is UXCIMHBMIKEHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c31-24(21-8-10-22(11-9-21)27-14-12-20-5-2-1-3-6-20)29-15-17-30(18-16-29)25(32)28-23-7-4-13-26-19-23/h4,7-11,13,19-20,27H,1-3,5-6,12,14-18H2,(H,28,32).
What are the key properties of 4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide?
4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 70997266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).