1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide

C23H25ClN4O3 — CID 16840955

IUPAC1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide
SMILESCCc1cnc2c(c1NC(=O)C1(c3ccc(Cl)cc3)CCCC1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C23H25ClN4O3/c1-4-14-13-25-19-17(20(29)28(3)22(31)27(19)2)18(14)26-21(30)23(11-5-6-12-23)15-7-9-16(24)10-8-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,25,26,30)
InChIKeyZVPDQPNAPBPHRX-UHFFFAOYSA-N
MW440.93 g/mol
LogP3.30
Rot. Bonds4

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

1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide (PubChem CID 16840955) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide
PubChem CID16840955
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide
SMILESCCc1cnc2c(c1NC(=O)C1(c3ccc(Cl)cc3)CCCC1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C23H25ClN4O3/c1-4-14-13-25-19-17(20(29)28(3)22(31)27(19)2)18(14)26-21(30)23(11-5-6-12-23)15-7-9-16(24)10-8-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,25,26,30)
InChIKeyZVPDQPNAPBPHRX-UHFFFAOYSA-N
XLogP3.30
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide (CID 16840955) is 1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide is CCc1cnc2c(c1NC(=O)C1(c3ccc(Cl)cc3)CCCC1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide?
The InChIKey is ZVPDQPNAPBPHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-4-14-13-25-19-17(20(29)28(3)22(31)27(19)2)18(14)26-21(30)23(11-5-6-12-23)15-7-9-16(24)10-8-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,25,26,30).
What are the key properties of 1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide has a molecular weight of 440.93 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 16840955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).