3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)benzamide

C21H21N5O2 — CID 71735362

IUPAC3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(N3CCc4nc(N)ncc4C3)c2)c1
InChIInChI=1S/C21H21N5O2/c1-28-18-7-3-5-16(11-18)24-20(27)14-4-2-6-17(10-14)26-9-8-19-15(13-26)12-23-21(22)25-19/h2-7,10-12H,8-9,13H2,1H3,(H,24,27)(H2,22,23,25)
InChIKeyDVWSMCWJINBHTP-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.88
Rot. Bonds4

About 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)benzamide

3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)benzamide (PubChem CID 71735362) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)benzamide
PubChem CID71735362
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(N3CCc4nc(N)ncc4C3)c2)c1
InChIInChI=1S/C21H21N5O2/c1-28-18-7-3-5-16(11-18)24-20(27)14-4-2-6-17(10-14)26-9-8-19-15(13-26)12-23-21(22)25-19/h2-7,10-12H,8-9,13H2,1H3,(H,24,27)(H2,22,23,25)
InChIKeyDVWSMCWJINBHTP-UHFFFAOYSA-N
XLogP2.88
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)benzamide (CID 71735362) is 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2cccc(N3CCc4nc(N)ncc4C3)c2)c1.
What is the InChIKey of 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)benzamide?
The InChIKey is DVWSMCWJINBHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-28-18-7-3-5-16(11-18)24-20(27)14-4-2-6-17(10-14)26-9-8-19-15(13-26)12-23-21(22)25-19/h2-7,10-12H,8-9,13H2,1H3,(H,24,27)(H2,22,23,25).
What are the key properties of 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)benzamide?
3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)benzamide has a molecular weight of 375.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 71735362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).