7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

C16H21N5O3 — CID 173153478

IUPAC7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCC(=O)N1CCC(C(=O)N2CCc3cnc(C(N)=O)nc3C2)CC1
InChIInChI=1S/C16H21N5O3/c1-10(22)20-5-2-11(3-6-20)16(24)21-7-4-12-8-18-15(14(17)23)19-13(12)9-21/h8,11H,2-7,9H2,1H3,(H2,17,23)
InChIKeySPTSEUFUACRERK-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.28
Rot. Bonds2

About 7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (PubChem CID 173153478) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
PubChem CID173153478
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCC(=O)N1CCC(C(=O)N2CCc3cnc(C(N)=O)nc3C2)CC1
InChIInChI=1S/C16H21N5O3/c1-10(22)20-5-2-11(3-6-20)16(24)21-7-4-12-8-18-15(14(17)23)19-13(12)9-21/h8,11H,2-7,9H2,1H3,(H2,17,23)
InChIKeySPTSEUFUACRERK-UHFFFAOYSA-N
XLogP-0.28
TPSA109.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (CID 173153478) is 7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is CC(=O)N1CCC(C(=O)N2CCc3cnc(C(N)=O)nc3C2)CC1.
What is the InChIKey of 7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is SPTSEUFUACRERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10(22)20-5-2-11(3-6-20)16(24)21-7-4-12-8-18-15(14(17)23)19-13(12)9-21/h8,11H,2-7,9H2,1H3,(H2,17,23).
What are the key properties of 7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 173153478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).