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

C19H23N5O2 — CID 71541720

IUPAC2-(ethylamino)-6-(3-phenylpropanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
SMILESCCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccccc1)CC2
InChIInChI=1S/C19H23N5O2/c1-2-21-19-22-15-10-11-24(12-14(15)17(23-19)18(20)26)16(25)9-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,20,26)(H,21,22,23)
InChIKeyVNYPQVUCHQJJKY-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.52
Rot. Bonds6

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

2-(ethylamino)-6-(3-phenylpropanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide (PubChem CID 71541720) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(ethylamino)-6-(3-phenylpropanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-6-(3-phenylpropanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
PubChem CID71541720
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-(ethylamino)-6-(3-phenylpropanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
SMILESCCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccccc1)CC2
InChIInChI=1S/C19H23N5O2/c1-2-21-19-22-15-10-11-24(12-14(15)17(23-19)18(20)26)16(25)9-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,20,26)(H,21,22,23)
InChIKeyVNYPQVUCHQJJKY-UHFFFAOYSA-N
XLogP1.52
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.52
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-phenylpropanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-6-(3-phenylpropanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide (CID 71541720) is 2-(ethylamino)-6-(3-phenylpropanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-6-(3-phenylpropanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-6-(3-phenylpropanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide is CCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccccc1)CC2.
What is the InChIKey of 2-(ethylamino)-6-(3-phenylpropanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The InChIKey is VNYPQVUCHQJJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-2-21-19-22-15-10-11-24(12-14(15)17(23-19)18(20)26)16(25)9-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,20,26)(H,21,22,23).
What are the key properties of 2-(ethylamino)-6-(3-phenylpropanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
2-(ethylamino)-6-(3-phenylpropanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.52, 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-phenylpropanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 71541720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).