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

C37H33N7O2 — CID 59407185

IUPACN-[3-ethyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)cc(-c2cccc(-c3nnc(C)o3)c2)c1
InChIInChI=1S/C37H33N7O2/c1-4-25-17-29(26-10-7-11-27(19-26)36-43-42-24(3)46-36)20-30(18-25)39-37(45)44-16-14-33-32(22-44)34(31-13-6-5-9-23(31)2)41-35(40-33)28-12-8-15-38-21-28/h5-13,15,17-21H,4,14,16,22H2,1-3H3,(H,39,45)
InChIKeyIPLPAXYSKWGMBN-UHFFFAOYSA-N
MW607.72 g/mol
LogP7.69
Rot. Bonds6

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

N-[3-ethyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 59407185) has the molecular formula C37H33N7O2 and a molecular weight of 607.72 g/mol. Its IUPAC name is N-[3-ethyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID59407185
Molecular FormulaC37H33N7O2
Molecular Weight607.72 g/mol
Exact Mass607.27
IUPAC NameN-[3-ethyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCc1cc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)cc(-c2cccc(-c3nnc(C)o3)c2)c1
InChIInChI=1S/C37H33N7O2/c1-4-25-17-29(26-10-7-11-27(19-26)36-43-42-24(3)46-36)20-30(18-25)39-37(45)44-16-14-33-32(22-44)34(31-13-6-5-9-23(31)2)41-35(40-33)28-12-8-15-38-21-28/h5-13,15,17-21H,4,14,16,22H2,1-3H3,(H,39,45)
InChIKeyIPLPAXYSKWGMBN-UHFFFAOYSA-N
XLogP7.69
TPSA109.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.72
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-ethyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 59407185) is N-[3-ethyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-ethyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-ethyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCc1cc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)cc(-c2cccc(-c3nnc(C)o3)c2)c1.
What is the InChIKey of N-[3-ethyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is IPLPAXYSKWGMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N7O2/c1-4-25-17-29(26-10-7-11-27(19-26)36-43-42-24(3)46-36)20-30(18-25)39-37(45)44-16-14-33-32(22-44)34(31-13-6-5-9-23(31)2)41-35(40-33)28-12-8-15-38-21-28/h5-13,15,17-21H,4,14,16,22H2,1-3H3,(H,39,45).
What are the key properties of N-[3-ethyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-[3-ethyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 607.72 g/mol, XLogP of 7.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59407185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).