N-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide

C25H27N5O2 — CID 23582885

IUPACN-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC1
InChIInChI=1S/C25H27N5O2/c1-18-4-3-5-19(2)23(18)28-25(32)30-16-14-29(15-17-30)24(31)20-6-8-21(9-7-20)27-22-10-12-26-13-11-22/h3-13H,14-17H2,1-2H3,(H,26,27)(H,28,32)
InChIKeyGDGWXMWSFQLQRB-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.43
Rot. Bonds4

About N-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide

N-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide (PubChem CID 23582885) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide
PubChem CID23582885
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC1
InChIInChI=1S/C25H27N5O2/c1-18-4-3-5-19(2)23(18)28-25(32)30-16-14-29(15-17-30)24(31)20-6-8-21(9-7-20)27-22-10-12-26-13-11-22/h3-13H,14-17H2,1-2H3,(H,26,27)(H,28,32)
InChIKeyGDGWXMWSFQLQRB-UHFFFAOYSA-N
XLogP4.43
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986479
N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 58899814
N-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide
CID 23909766
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide
CID 134006916
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide (CID 23582885) is N-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide is Cc1cccc(C)c1NC(=O)N1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide?
The InChIKey is GDGWXMWSFQLQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-18-4-3-5-19(2)23(18)28-25(32)30-16-14-29(15-17-30)24(31)20-6-8-21(9-7-20)27-22-10-12-26-13-11-22/h3-13H,14-17H2,1-2H3,(H,26,27)(H,28,32).
What are the key properties of N-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide?
N-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide is sourced from PubChem (CID 23582885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).