carbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate

C22H24N6O4 — CID 91075124

IUPACcarbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCN(c1ncc2c(=O)c(C(=O)OC(N)=O)cn(-c3ccccc3)c2n1)N1CCCCC1
InChIInChI=1S/C22H24N6O4/c1-2-28(26-11-7-4-8-12-26)22-24-13-16-18(29)17(20(30)32-21(23)31)14-27(19(16)25-22)15-9-5-3-6-10-15/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3,(H2,23,31)
InChIKeyUMJGWQRCWQYWNN-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.24
Rot. Bonds5

About carbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate

carbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 91075124) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is carbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namecarbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID91075124
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Namecarbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCN(c1ncc2c(=O)c(C(=O)OC(N)=O)cn(-c3ccccc3)c2n1)N1CCCCC1
InChIInChI=1S/C22H24N6O4/c1-2-28(26-11-7-4-8-12-26)22-24-13-16-18(29)17(20(30)32-21(23)31)14-27(19(16)25-22)15-9-5-3-6-10-15/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3,(H2,23,31)
InChIKeyUMJGWQRCWQYWNN-UHFFFAOYSA-N
XLogP2.24
TPSA123.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of carbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate (CID 91075124) is carbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for carbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for carbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate is CCN(c1ncc2c(=O)c(C(=O)OC(N)=O)cn(-c3ccccc3)c2n1)N1CCCCC1.
What is the InChIKey of carbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is UMJGWQRCWQYWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-2-28(26-11-7-4-8-12-26)22-24-13-16-18(29)17(20(30)32-21(23)31)14-27(19(16)25-22)15-9-5-3-6-10-15/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3,(H2,23,31).
What are the key properties of carbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate?
carbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 436.47 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 2-[ethyl(piperidin-1-yl)amino]-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 91075124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).