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

C27H29N7O — CID 68918695

IUPAC1-[2-amino-6-(2,6-dimethylphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide
SMILESCc1cccc(NC(=O)C2CNCCN2c2nc(N)nc3ccc(-c4c(C)cccc4C)nc23)c1
InChIInChI=1S/C27H29N7O/c1-16-6-4-9-19(14-16)30-26(35)22-15-29-12-13-34(22)25-24-21(32-27(28)33-25)11-10-20(31-24)23-17(2)7-5-8-18(23)3/h4-11,14,22,29H,12-13,15H2,1-3H3,(H,30,35)(H2,28,32,33)
InChIKeyKHWRKKSUUQFSKS-UHFFFAOYSA-N
MW467.58 g/mol
LogP3.62
Rot. Bonds4

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

1-[2-amino-6-(2,6-dimethylphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide (PubChem CID 68918695) has the molecular formula C27H29N7O and a molecular weight of 467.58 g/mol. Its IUPAC name is 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-[2-amino-6-(2,6-dimethylphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide
PubChem CID68918695
Molecular FormulaC27H29N7O
Molecular Weight467.58 g/mol
Exact Mass467.24
IUPAC Name1-[2-amino-6-(2,6-dimethylphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide
SMILESCc1cccc(NC(=O)C2CNCCN2c2nc(N)nc3ccc(-c4c(C)cccc4C)nc23)c1
InChIInChI=1S/C27H29N7O/c1-16-6-4-9-19(14-16)30-26(35)22-15-29-12-13-34(22)25-24-21(32-27(28)33-25)11-10-20(31-24)23-17(2)7-5-8-18(23)3/h4-11,14,22,29H,12-13,15H2,1-3H3,(H,30,35)(H2,28,32,33)
InChIKeyKHWRKKSUUQFSKS-UHFFFAOYSA-N
XLogP3.62
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-acetamido-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide
CID 69078717
1-[6-(3-chloro-4-ethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide
CID 68840151
(2S)-2-amino-3-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 68914970
1-[2-acetamido-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(4-chlorophenyl)methyl]piperazine-2-carboxamide
CID 68915087
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 122443883
methyl 6-[(3-methylphenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate
CID 4899625
1-methyl-N-pyridin-4-ylpiperazine-2-carboxamide
CID 115177729
(3-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919749
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679353
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 20862294

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide?
The IUPAC name of 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide (CID 68918695) is 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide?
The canonical SMILES for 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide is Cc1cccc(NC(=O)C2CNCCN2c2nc(N)nc3ccc(-c4c(C)cccc4C)nc23)c1.
What is the InChIKey of 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide?
The InChIKey is KHWRKKSUUQFSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O/c1-16-6-4-9-19(14-16)30-26(35)22-15-29-12-13-34(22)25-24-21(32-27(28)33-25)11-10-20(31-24)23-17(2)7-5-8-18(23)3/h4-11,14,22,29H,12-13,15H2,1-3H3,(H,30,35)(H2,28,32,33).
What are the key properties of 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide?
1-[2-amino-6-(2,6-dimethylphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide has a molecular weight of 467.58 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(2,6-dimethylphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide is sourced from PubChem (CID 68918695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).