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

C20H25N5O2 — CID 71541721

IUPAC2-(ethylamino)-6-[3-(4-methylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
SMILESCCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(C)cc1)CC2
InChIInChI=1S/C20H25N5O2/c1-3-22-20-23-16-10-11-25(12-15(16)18(24-20)19(21)27)17(26)9-8-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H2,21,27)(H,22,23,24)
InChIKeyTYYUCXQFCCAEAG-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.83
Rot. Bonds6

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

2-(ethylamino)-6-[3-(4-methylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide (PubChem CID 71541721) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(ethylamino)-6-[3-(4-methylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-6-[3-(4-methylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
PubChem CID71541721
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-(ethylamino)-6-[3-(4-methylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
SMILESCCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(C)cc1)CC2
InChIInChI=1S/C20H25N5O2/c1-3-22-20-23-16-10-11-25(12-15(16)18(24-20)19(21)27)17(26)9-8-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H2,21,27)(H,22,23,24)
InChIKeyTYYUCXQFCCAEAG-UHFFFAOYSA-N
XLogP1.83
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-[3-(4-methylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-6-[3-(4-methylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide (CID 71541721) is 2-(ethylamino)-6-[3-(4-methylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-6-[3-(4-methylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-6-[3-(4-methylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide is CCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(C)cc1)CC2.
What is the InChIKey of 2-(ethylamino)-6-[3-(4-methylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The InChIKey is TYYUCXQFCCAEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-3-22-20-23-16-10-11-25(12-15(16)18(24-20)19(21)27)17(26)9-8-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H2,21,27)(H,22,23,24).
What are the key properties of 2-(ethylamino)-6-[3-(4-methylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
2-(ethylamino)-6-[3-(4-methylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-[3-(4-methylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 71541721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).