8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide

C24H28N6O2 — CID 91536900

IUPAC8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCN(c1ncc2c(=O)c(C(N)=O)cn(-c3ccc4c(c3)CCC4)c2n1)N1CCCC1
InChIInChI=1S/C24H28N6O2/c1-2-10-30(28-11-3-4-12-28)24-26-14-19-21(31)20(22(25)32)15-29(23(19)27-24)18-9-8-16-6-5-7-17(16)13-18/h8-9,13-15H,2-7,10-12H2,1H3,(H2,25,32)
InChIKeyNNZXDLDISOASNR-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.60
Rot. Bonds6

About 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide

8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 91536900) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID91536900
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCN(c1ncc2c(=O)c(C(N)=O)cn(-c3ccc4c(c3)CCC4)c2n1)N1CCCC1
InChIInChI=1S/C24H28N6O2/c1-2-10-30(28-11-3-4-12-28)24-26-14-19-21(31)20(22(25)32)15-29(23(19)27-24)18-9-8-16-6-5-7-17(16)13-18/h8-9,13-15H,2-7,10-12H2,1H3,(H2,25,32)
InChIKeyNNZXDLDISOASNR-UHFFFAOYSA-N
XLogP2.60
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 91536900) is 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide is CCCN(c1ncc2c(=O)c(C(N)=O)cn(-c3ccc4c(c3)CCC4)c2n1)N1CCCC1.
What is the InChIKey of 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NNZXDLDISOASNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-2-10-30(28-11-3-4-12-28)24-26-14-19-21(31)20(22(25)32)15-29(23(19)27-24)18-9-8-16-6-5-7-17(16)13-18/h8-9,13-15H,2-7,10-12H2,1H3,(H2,25,32).
What are the key properties of 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide?
8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 91536900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).