2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide

C19H26N4O3 — CID 16840851

IUPAC2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide
SMILESCCc1cnc2c(c1NC(=O)CC1CCCCC1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H26N4O3/c1-4-13-11-20-17-15(18(25)23(3)19(26)22(17)2)16(13)21-14(24)10-12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3,(H,20,21,24)
InChIKeyLWINTLTVFNTZFR-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.10
Rot. Bonds4

About 2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide

2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide (PubChem CID 16840851) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide
PubChem CID16840851
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide
SMILESCCc1cnc2c(c1NC(=O)CC1CCCCC1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H26N4O3/c1-4-13-11-20-17-15(18(25)23(3)19(26)22(17)2)16(13)21-14(24)10-12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3,(H,20,21,24)
InChIKeyLWINTLTVFNTZFR-UHFFFAOYSA-N
XLogP2.10
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(cycloheptylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845292
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-(4-methoxyphenyl)acetamide
CID 16840940
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide
CID 16840883
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-4-nitrobenzamide
CID 16840904
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
CID 16841095
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-2,2-dimethylpropanamide
CID 16840994
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide
CID 16841104
2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16841013
6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845380
5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845281
N-tert-butyl-2-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 7424373
3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide
CID 16840692

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide (CID 16840851) is 2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide is CCc1cnc2c(c1NC(=O)CC1CCCCC1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide?
The InChIKey is LWINTLTVFNTZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-13-11-20-17-15(18(25)23(3)19(26)22(17)2)16(13)21-14(24)10-12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3,(H,20,21,24).
What are the key properties of 2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide?
2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 16840851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).