1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide

C27H27ClN6O2 — CID 68840151

IUPAC1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide
SMILESCCOc1ccc(-c2ccc3ncnc(N4CCNCC4C(=O)Nc4cccc(C)c4)c3n2)cc1Cl
InChIInChI=1S/C27H27ClN6O2/c1-3-36-24-10-7-18(14-20(24)28)21-8-9-22-25(33-21)26(31-16-30-22)34-12-11-29-15-23(34)27(35)32-19-6-4-5-17(2)13-19/h4-10,13-14,16,23,29H,3,11-12,15H2,1-2H3,(H,32,35)
InChIKeyNZPFSLBOSIJGFW-UHFFFAOYSA-N
MW503.01 g/mol
LogP4.47
Rot. Bonds6

About 1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide

1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide (PubChem CID 68840151) has the molecular formula C27H27ClN6O2 and a molecular weight of 503.01 g/mol. Its IUPAC name is 1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide
PubChem CID68840151
Molecular FormulaC27H27ClN6O2
Molecular Weight503.01 g/mol
Exact Mass502.19
IUPAC Name1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide
SMILESCCOc1ccc(-c2ccc3ncnc(N4CCNCC4C(=O)Nc4cccc(C)c4)c3n2)cc1Cl
InChIInChI=1S/C27H27ClN6O2/c1-3-36-24-10-7-18(14-20(24)28)21-8-9-22-25(33-21)26(31-16-30-22)34-12-11-29-15-23(34)27(35)32-19-6-4-5-17(2)13-19/h4-10,13-14,16,23,29H,3,11-12,15H2,1-2H3,(H,32,35)
InChIKeyNZPFSLBOSIJGFW-UHFFFAOYSA-N
XLogP4.47
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.01
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-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

Related Compounds

1-[2-acetamido-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide
CID 69078717
N-(3-chlorophenyl)-1-[7-(4-ethoxy-3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazine-2-carboxamide
CID 68917719
1-[2-amino-6-(2,6-dimethylphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide
CID 68918695
N-(3-chlorophenyl)-4-[6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]pyrido[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 59647854
4-[2-butoxy-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 25154488
4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 11518930
1-[2-acetamido-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(4-chlorophenyl)methyl]piperazine-2-carboxamide
CID 68915087
6-(3-chloro-4-ethoxyphenyl)pyrimidine-4-carboxylic acid
CID 95482943
(2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid
CID 97163463
1-[4-(4-chloro-2-methylphenoxy)butanoyl]-N-naphthalen-2-ylpiperazine-2-carboxamide
CID 10183397
N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 110437338
1-N-(2-ethoxyphenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141044

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide?
The IUPAC name of 1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide (CID 68840151) is 1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide?
The canonical SMILES for 1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide is CCOc1ccc(-c2ccc3ncnc(N4CCNCC4C(=O)Nc4cccc(C)c4)c3n2)cc1Cl.
What is the InChIKey of 1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide?
The InChIKey is NZPFSLBOSIJGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN6O2/c1-3-36-24-10-7-18(14-20(24)28)21-8-9-22-25(33-21)26(31-16-30-22)34-12-11-29-15-23(34)27(35)32-19-6-4-5-17(2)13-19/h4-10,13-14,16,23,29H,3,11-12,15H2,1-2H3,(H,32,35).
What are the key properties of 1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide?
1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide has a molecular weight of 503.01 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide is sourced from PubChem (CID 68840151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).