6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C14H16N4O3 — CID 165416240

IUPAC6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)N1CCCCCC1
InChIInChI=1S/C14H16N4O3/c19-12-10-7-9(8-15-11(10)16-14(21)17-12)13(20)18-5-3-1-2-4-6-18/h7-8H,1-6H2,(H2,15,16,17,19,21)
InChIKeyCEJLELZDXLZHDJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.63
Rot. Bonds1

About 6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 165416240) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID165416240
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)N1CCCCCC1
InChIInChI=1S/C14H16N4O3/c19-12-10-7-9(8-15-11(10)16-14(21)17-12)13(20)18-5-3-1-2-4-6-18/h7-8H,1-6H2,(H2,15,16,17,19,21)
InChIKeyCEJLELZDXLZHDJ-UHFFFAOYSA-N
XLogP0.63
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 49065313
6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 119469220
6-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 55823427
6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 167934753
(3aS,6aR)-2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683028
6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 95603781
N,N-dimethyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 47215053
6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 167946569
6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 154835826
(5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone
CID 139832748
piperidin-1-yl-[5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)thiophen-3-yl]methanone
CID 141369115
(2S)-2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid
CID 119360120

Frequently Asked Questions

What is the IUPAC name of 6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 165416240) is 6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is O=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)N1CCCCCC1.
What is the InChIKey of 6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CEJLELZDXLZHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-12-10-7-9(8-15-11(10)16-14(21)17-12)13(20)18-5-3-1-2-4-6-18/h7-8H,1-6H2,(H2,15,16,17,19,21).
What are the key properties of 6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 288.31 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 165416240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).