8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

C29H32N6O2 — CID 71096353

IUPAC8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1ccc(-n2cc(C(N)=O)c(=O)c3cnc(Nc4ccc(C5CCN(CC)CC5)cc4)nc32)cc1
InChIInChI=1S/C29H32N6O2/c1-3-19-5-11-23(12-6-19)35-18-25(27(30)37)26(36)24-17-31-29(33-28(24)35)32-22-9-7-20(8-10-22)21-13-15-34(4-2)16-14-21/h5-12,17-18,21H,3-4,13-16H2,1-2H3,(H2,30,37)(H,31,32,33)
InChIKeyWOJKNZDCSWEWSU-UHFFFAOYSA-N
MW496.62 g/mol
LogP4.38
Rot. Bonds7

About 8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 71096353) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is 8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID71096353
Molecular FormulaC29H32N6O2
Molecular Weight496.62 g/mol
Exact Mass496.26
IUPAC Name8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1ccc(-n2cc(C(N)=O)c(=O)c3cnc(Nc4ccc(C5CCN(CC)CC5)cc4)nc32)cc1
InChIInChI=1S/C29H32N6O2/c1-3-19-5-11-23(12-6-19)35-18-25(27(30)37)26(36)24-17-31-29(33-28(24)35)32-22-9-7-20(8-10-22)21-13-15-34(4-2)16-14-21/h5-12,17-18,21H,3-4,13-16H2,1-2H3,(H2,30,37)(H,31,32,33)
InChIKeyWOJKNZDCSWEWSU-UHFFFAOYSA-N
XLogP4.38
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 71096353) is 8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is CCc1ccc(-n2cc(C(N)=O)c(=O)c3cnc(Nc4ccc(C5CCN(CC)CC5)cc4)nc32)cc1.
What is the InChIKey of 8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WOJKNZDCSWEWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-3-19-5-11-23(12-6-19)35-18-25(27(30)37)26(36)24-17-31-29(33-28(24)35)32-22-9-7-20(8-10-22)21-13-15-34(4-2)16-14-21/h5-12,17-18,21H,3-4,13-16H2,1-2H3,(H2,30,37)(H,31,32,33).
What are the key properties of 8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 496.62 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71096353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).