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

C20H25N5O3 — CID 86264710

IUPACN-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCc3cnc(N4CCOCC4)nc3C2)cc1
InChIInChI=1S/C20H25N5O3/c1-27-17-4-2-15(3-5-17)12-22-20(26)25-7-6-16-13-21-19(23-18(16)14-25)24-8-10-28-11-9-24/h2-5,13H,6-12,14H2,1H3,(H,22,26)
InChIKeyVIFQKPVDNJOAFM-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.59
Rot. Bonds4

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

N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 86264710) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID86264710
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCc3cnc(N4CCOCC4)nc3C2)cc1
InChIInChI=1S/C20H25N5O3/c1-27-17-4-2-15(3-5-17)12-22-20(26)25-7-6-16-13-21-19(23-18(16)14-25)24-8-10-28-11-9-24/h2-5,13H,6-12,14H2,1H3,(H,22,26)
InChIKeyVIFQKPVDNJOAFM-UHFFFAOYSA-N
XLogP1.59
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 86264710) is N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is COc1ccc(CNC(=O)N2CCc3cnc(N4CCOCC4)nc3C2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is VIFQKPVDNJOAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-27-17-4-2-15(3-5-17)12-22-20(26)25-7-6-16-13-21-19(23-18(16)14-25)24-8-10-28-11-9-24/h2-5,13H,6-12,14H2,1H3,(H,22,26).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 86264710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).