N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C24H33N7O2 — CID 83283735

IUPACN-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3nc(N4CCOCC4)nc(N4CCN(C)CC4)c3C2)cc1
InChIInChI=1S/C24H33N7O2/c1-18-3-5-19(6-4-18)25-24(32)31-8-7-21-20(17-31)22(29-11-9-28(2)10-12-29)27-23(26-21)30-13-15-33-16-14-30/h3-6H,7-17H2,1-2H3,(H,25,32)
InChIKeyDOITXFVHZKUEJR-UHFFFAOYSA-N
MW451.58 g/mol
LogP1.96
Rot. Bonds3

About N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 83283735) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID83283735
Molecular FormulaC24H33N7O2
Molecular Weight451.58 g/mol
Exact Mass451.27
IUPAC NameN-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3nc(N4CCOCC4)nc(N4CCN(C)CC4)c3C2)cc1
InChIInChI=1S/C24H33N7O2/c1-18-3-5-19(6-4-18)25-24(32)31-8-7-21-20(17-31)22(29-11-9-28(2)10-12-29)27-23(26-21)30-13-15-33-16-14-30/h3-6H,7-17H2,1-2H3,(H,25,32)
InChIKeyDOITXFVHZKUEJR-UHFFFAOYSA-N
XLogP1.96
TPSA77.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 83283735) is N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1ccc(NC(=O)N2CCc3nc(N4CCOCC4)nc(N4CCN(C)CC4)c3C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is DOITXFVHZKUEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2/c1-18-3-5-19(6-4-18)25-24(32)31-8-7-21-20(17-31)22(29-11-9-28(2)10-12-29)27-23(26-21)30-13-15-33-16-14-30/h3-6H,7-17H2,1-2H3,(H,25,32).
What are the key properties of N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 451.58 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 83283735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).