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

C17H22N4O3 — CID 49065313

IUPAC6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCC1CCCN(C(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)CC1
InChIInChI=1S/C17H22N4O3/c1-2-4-11-5-3-7-21(8-6-11)16(23)12-9-13-14(18-10-12)19-17(24)20-15(13)22/h9-11H,2-8H2,1H3,(H2,18,19,20,22,24)
InChIKeyMSYDEIHQZMXMNN-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.65
Rot. Bonds3

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

6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 49065313) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID49065313
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCC1CCCN(C(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)CC1
InChIInChI=1S/C17H22N4O3/c1-2-4-11-5-3-7-21(8-6-11)16(23)12-9-13-14(18-10-12)19-17(24)20-15(13)22/h9-11H,2-8H2,1H3,(H2,18,19,20,22,24)
InChIKeyMSYDEIHQZMXMNN-UHFFFAOYSA-N
XLogP1.65
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 165416240
(6-bromo-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 66464344
(5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 63930804
6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 119469220
6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 95603781
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
(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107952466
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone
CID 81235678
6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 154835826
(3-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 142181487
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414
6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 167934753

Frequently Asked Questions

What is the IUPAC name of 6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 49065313) is 6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is CCCC1CCCN(C(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)CC1.
What is the InChIKey of 6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MSYDEIHQZMXMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-4-11-5-3-7-21(8-6-11)16(23)12-9-13-14(18-10-12)19-17(24)20-15(13)22/h9-11H,2-8H2,1H3,(H2,18,19,20,22,24).
What are the key properties of 6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 330.39 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 49065313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).