4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide

C28H28N6O2 — CID 42822200

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1N1CCN(c2nc(-c3ccccc3)ncc2C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C28H28N6O2/c1-36-25-12-6-5-11-24(25)33-14-16-34(17-15-33)27-23(28(35)31-19-21-8-7-13-29-18-21)20-30-26(32-27)22-9-3-2-4-10-22/h2-13,18,20H,14-17,19H2,1H3,(H,31,35)
InChIKeySREVJKNWCQKUSY-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.80
Rot. Bonds7

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide

4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 42822200) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
PubChem CID42822200
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1N1CCN(c2nc(-c3ccccc3)ncc2C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C28H28N6O2/c1-36-25-12-6-5-11-24(25)33-14-16-34(17-15-33)27-23(28(35)31-19-21-8-7-13-29-18-21)20-30-26(32-27)22-9-3-2-4-10-22/h2-13,18,20H,14-17,19H2,1H3,(H,31,35)
InChIKeySREVJKNWCQKUSY-UHFFFAOYSA-N
XLogP3.80
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 42762456
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 1054189
5-[(3,5-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 1054188
5-[(4-fluorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 42762459
5-[(4-tert-butylbenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 3450416
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 42670920
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112893579
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 42673393
5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 166322102
2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 46037601
(4aS,5S)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 129428061
[4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 42672046

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide (CID 42822200) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide is COc1ccccc1N1CCN(c2nc(-c3ccccc3)ncc2C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is SREVJKNWCQKUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-36-25-12-6-5-11-24(25)33-14-16-34(17-15-33)27-23(28(35)31-19-21-8-7-13-29-18-21)20-30-26(32-27)22-9-3-2-4-10-22/h2-13,18,20H,14-17,19H2,1H3,(H,31,35).
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42822200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).