2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide

C20H25N5O3 — CID 71541723

IUPAC2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
SMILESCCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(OC)cc1)CC2
InChIInChI=1S/C20H25N5O3/c1-3-22-20-23-16-10-11-25(12-15(16)18(24-20)19(21)27)17(26)9-6-13-4-7-14(28-2)8-5-13/h4-5,7-8H,3,6,9-12H2,1-2H3,(H2,21,27)(H,22,23,24)
InChIKeyROIRWMRJAZLSIC-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.53
Rot. Bonds7

About 2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide

2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide (PubChem CID 71541723) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
PubChem CID71541723
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
SMILESCCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(OC)cc1)CC2
InChIInChI=1S/C20H25N5O3/c1-3-22-20-23-16-10-11-25(12-15(16)18(24-20)19(21)27)17(26)9-6-13-4-7-14(28-2)8-5-13/h4-5,7-8H,3,6,9-12H2,1-2H3,(H2,21,27)(H,22,23,24)
InChIKeyROIRWMRJAZLSIC-UHFFFAOYSA-N
XLogP1.53
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide (CID 71541723) is 2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide is CCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(OC)cc1)CC2.
What is the InChIKey of 2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The InChIKey is ROIRWMRJAZLSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-3-22-20-23-16-10-11-25(12-15(16)18(24-20)19(21)27)17(26)9-6-13-4-7-14(28-2)8-5-13/h4-5,7-8H,3,6,9-12H2,1-2H3,(H2,21,27)(H,22,23,24).
What are the key properties of 2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 71541723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).