2-[(3-phenoxyphenyl)methylamino]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C24H27N5O2 — CID 155567277

IUPAC2-[(3-phenoxyphenyl)methylamino]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCC(C)NC(=O)N1CCc2nc(NCc3cccc(Oc4ccccc4)c3)ncc2C1
InChIInChI=1S/C24H27N5O2/c1-17(2)27-24(30)29-12-11-22-19(16-29)15-26-23(28-22)25-14-18-7-6-10-21(13-18)31-20-8-4-3-5-9-20/h3-10,13,15,17H,11-12,14,16H2,1-2H3,(H,27,30)(H,25,26,28)
InChIKeyCWEWLIPIRKVMAS-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.36
Rot. Bonds6

About 2-[(3-phenoxyphenyl)methylamino]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

2-[(3-phenoxyphenyl)methylamino]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 155567277) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[(3-phenoxyphenyl)methylamino]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[(3-phenoxyphenyl)methylamino]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID155567277
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-[(3-phenoxyphenyl)methylamino]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCC(C)NC(=O)N1CCc2nc(NCc3cccc(Oc4ccccc4)c3)ncc2C1
InChIInChI=1S/C24H27N5O2/c1-17(2)27-24(30)29-12-11-22-19(16-29)15-26-23(28-22)25-14-18-7-6-10-21(13-18)31-20-8-4-3-5-9-20/h3-10,13,15,17H,11-12,14,16H2,1-2H3,(H,27,30)(H,25,26,28)
InChIKeyCWEWLIPIRKVMAS-UHFFFAOYSA-N
XLogP4.36
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenoxyphenyl)methylamino]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-[(3-phenoxyphenyl)methylamino]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 155567277) is 2-[(3-phenoxyphenyl)methylamino]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[(3-phenoxyphenyl)methylamino]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[(3-phenoxyphenyl)methylamino]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CC(C)NC(=O)N1CCc2nc(NCc3cccc(Oc4ccccc4)c3)ncc2C1.
What is the InChIKey of 2-[(3-phenoxyphenyl)methylamino]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is CWEWLIPIRKVMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17(2)27-24(30)29-12-11-22-19(16-29)15-26-23(28-22)25-14-18-7-6-10-21(13-18)31-20-8-4-3-5-9-20/h3-10,13,15,17H,11-12,14,16H2,1-2H3,(H,27,30)(H,25,26,28).
What are the key properties of 2-[(3-phenoxyphenyl)methylamino]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-[(3-phenoxyphenyl)methylamino]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenoxyphenyl)methylamino]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 155567277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).