2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide

C15H19ClN4O3 — CID 16841165

IUPAC2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide
SMILESCC(Cl)C(=O)Nc1c(C(C)C)cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H19ClN4O3/c1-7(2)9-6-17-12-10(11(9)18-13(21)8(3)16)14(22)20(5)15(23)19(12)4/h6-8H,1-5H3,(H,17,18,21)
InChIKeyLDIHYTPAYVOHSJ-UHFFFAOYSA-N
MW338.80 g/mol
LogP1.32
Rot. Bonds3

About 2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide

2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide (PubChem CID 16841165) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide
PubChem CID16841165
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC Name2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide
SMILESCC(Cl)C(=O)Nc1c(C(C)C)cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H19ClN4O3/c1-7(2)9-6-17-12-10(11(9)18-13(21)8(3)16)14(22)20(5)15(23)19(12)4/h6-8H,1-5H3,(H,17,18,21)
InChIKeyLDIHYTPAYVOHSJ-UHFFFAOYSA-N
XLogP1.32
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16841013
4-bromo-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)butanamide
CID 16841281
N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(4-ethoxyphenyl)acetamide
CID 16841246
1-(4-chlorophenyl)-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide
CID 16841259
N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 16841250
2-ethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide
CID 16840693
5-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-nitrobenzamide
CID 16841211
4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide
CID 16841154
methyl 2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanylacetate
CID 26844340
3-chloro-2,2-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16840710
3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
CID 16840715
N-(3,4-dichlorophenyl)-2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 41085062

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide?
The IUPAC name of 2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide (CID 16841165) is 2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide?
The canonical SMILES for 2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide is CC(Cl)C(=O)Nc1c(C(C)C)cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide?
The InChIKey is LDIHYTPAYVOHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3/c1-7(2)9-6-17-12-10(11(9)18-13(21)8(3)16)14(22)20(5)15(23)19(12)4/h6-8H,1-5H3,(H,17,18,21).
What are the key properties of 2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide?
2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide has a molecular weight of 338.80 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide is sourced from PubChem (CID 16841165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).