4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C30H31N7O2 — CID 50944019

IUPAC4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(C2CN(c3nc(-c4cccnc4)nc4c3CN(C(=O)Nc3ccccc3)CC4)CCN2)c1
InChIInChI=1S/C30H31N7O2/c1-39-24-11-5-7-21(17-24)27-20-36(16-14-32-27)29-25-19-37(30(38)33-23-9-3-2-4-10-23)15-12-26(25)34-28(35-29)22-8-6-13-31-18-22/h2-11,13,17-18,27,32H,12,14-16,19-20H2,1H3,(H,33,38)
InChIKeyHUNMEYPZMVCHFV-UHFFFAOYSA-N
MW521.63 g/mol
LogP4.29
Rot. Bonds5

About 4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 50944019) has the molecular formula C30H31N7O2 and a molecular weight of 521.63 g/mol. Its IUPAC name is 4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID50944019
Molecular FormulaC30H31N7O2
Molecular Weight521.63 g/mol
Exact Mass521.25
IUPAC Name4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(C2CN(c3nc(-c4cccnc4)nc4c3CN(C(=O)Nc3ccccc3)CC4)CCN2)c1
InChIInChI=1S/C30H31N7O2/c1-39-24-11-5-7-21(17-24)27-20-36(16-14-32-27)29-25-19-37(30(38)33-23-9-3-2-4-10-23)15-12-26(25)34-28(35-29)22-8-6-13-31-18-22/h2-11,13,17-18,27,32H,12,14-16,19-20H2,1H3,(H,33,38)
InChIKeyHUNMEYPZMVCHFV-UHFFFAOYSA-N
XLogP4.29
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.63
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 50944019) is 4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is COc1cccc(C2CN(c3nc(-c4cccnc4)nc4c3CN(C(=O)Nc3ccccc3)CC4)CCN2)c1.
What is the InChIKey of 4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is HUNMEYPZMVCHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O2/c1-39-24-11-5-7-21(17-24)27-20-36(16-14-32-27)29-25-19-37(30(38)33-23-9-3-2-4-10-23)15-12-26(25)34-28(35-29)22-8-6-13-31-18-22/h2-11,13,17-18,27,32H,12,14-16,19-20H2,1H3,(H,33,38).
What are the key properties of 4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 521.63 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 50944019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).