1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C23H27N5O3 — CID 43072647

IUPAC1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1ccc(C(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)N(C)C)cc1
InChIInChI=1S/C23H27N5O3/c1-4-14-5-7-15(8-6-14)19(27(2)3)13-25-21(29)16-11-18-20(24-12-16)28(17-9-10-17)23(31)26-22(18)30/h5-8,11-12,17,19H,4,9-10,13H2,1-3H3,(H,25,29)(H,26,30,31)
InChIKeyUZPRZPDRFUWRTP-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.01
Rot. Bonds7

About 1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 43072647) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID43072647
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1ccc(C(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)N(C)C)cc1
InChIInChI=1S/C23H27N5O3/c1-4-14-5-7-15(8-6-14)19(27(2)3)13-25-21(29)16-11-18-20(24-12-16)28(17-9-10-17)23(31)26-22(18)30/h5-8,11-12,17,19H,4,9-10,13H2,1-3H3,(H,25,29)(H,26,30,31)
InChIKeyUZPRZPDRFUWRTP-UHFFFAOYSA-N
XLogP2.01
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 43072647) is 1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is CCc1ccc(C(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)N(C)C)cc1.
What is the InChIKey of 1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UZPRZPDRFUWRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-4-14-5-7-15(8-6-14)19(27(2)3)13-25-21(29)16-11-18-20(24-12-16)28(17-9-10-17)23(31)26-22(18)30/h5-8,11-12,17,19H,4,9-10,13H2,1-3H3,(H,25,29)(H,26,30,31).
What are the key properties of 1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 43072647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).