carbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate

C25H28N6O5 — CID 91368866

IUPACcarbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCCN(c1ncc2c(=O)c(C(=O)OC(N)=O)cn(-c3ccc4c(c3)CCC4)c2n1)N1CCOCC1
InChIInChI=1S/C25H28N6O5/c1-2-8-31(29-9-11-35-12-10-29)25-27-14-19-21(32)20(23(33)36-24(26)34)15-30(22(19)28-25)18-7-6-16-4-3-5-17(16)13-18/h6-7,13-15H,2-5,8-12H2,1H3,(H2,26,34)
InChIKeyMDEXWHVAPHSNEO-UHFFFAOYSA-N
MW492.54 g/mol
LogP1.97
Rot. Bonds6

About carbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate

carbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 91368866) has the molecular formula C25H28N6O5 and a molecular weight of 492.54 g/mol. Its IUPAC name is carbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namecarbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID91368866
Molecular FormulaC25H28N6O5
Molecular Weight492.54 g/mol
Exact Mass492.21
IUPAC Namecarbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCCN(c1ncc2c(=O)c(C(=O)OC(N)=O)cn(-c3ccc4c(c3)CCC4)c2n1)N1CCOCC1
InChIInChI=1S/C25H28N6O5/c1-2-8-31(29-9-11-35-12-10-29)25-27-14-19-21(32)20(23(33)36-24(26)34)15-30(22(19)28-25)18-7-6-16-4-3-5-17(16)13-18/h6-7,13-15H,2-5,8-12H2,1H3,(H2,26,34)
InChIKeyMDEXWHVAPHSNEO-UHFFFAOYSA-N
XLogP1.97
TPSA132.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of carbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate (CID 91368866) is carbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for carbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for carbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate is CCCN(c1ncc2c(=O)c(C(=O)OC(N)=O)cn(-c3ccc4c(c3)CCC4)c2n1)N1CCOCC1.
What is the InChIKey of carbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is MDEXWHVAPHSNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O5/c1-2-8-31(29-9-11-35-12-10-29)25-27-14-19-21(32)20(23(33)36-24(26)34)15-30(22(19)28-25)18-7-6-16-4-3-5-17(16)13-18/h6-7,13-15H,2-5,8-12H2,1H3,(H2,26,34).
What are the key properties of carbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
carbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 492.54 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 91368866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).