8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

C31H34N6O3 — CID 24784165

IUPAC8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCN1CCC(c2ccc(Nc3ncc4c(=O)c(C(=O)NOC)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1
InChIInChI=1S/C31H34N6O3/c1-3-36-15-13-22(14-16-36)21-7-10-24(11-8-21)33-31-32-18-26-28(38)27(30(39)35-40-2)19-37(29(26)34-31)25-12-9-20-5-4-6-23(20)17-25/h7-12,17-19,22H,3-6,13-16H2,1-2H3,(H,35,39)(H,32,33,34)
InChIKeyPAYUJGPSQHCNAI-UHFFFAOYSA-N
MW538.65 g/mol
LogP4.50
Rot. Bonds7

About 8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24784165) has the molecular formula C31H34N6O3 and a molecular weight of 538.65 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID24784165
Molecular FormulaC31H34N6O3
Molecular Weight538.65 g/mol
Exact Mass538.27
IUPAC Name8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCN1CCC(c2ccc(Nc3ncc4c(=O)c(C(=O)NOC)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1
InChIInChI=1S/C31H34N6O3/c1-3-36-15-13-22(14-16-36)21-7-10-24(11-8-21)33-31-32-18-26-28(38)27(30(39)35-40-2)19-37(29(26)34-31)25-12-9-20-5-4-6-23(20)17-25/h7-12,17-19,22H,3-6,13-16H2,1-2H3,(H,35,39)(H,32,33,34)
InChIKeyPAYUJGPSQHCNAI-UHFFFAOYSA-N
XLogP4.50
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.65
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 24784165) is 8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is CCN1CCC(c2ccc(Nc3ncc4c(=O)c(C(=O)NOC)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1.
What is the InChIKey of 8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PAYUJGPSQHCNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O3/c1-3-36-15-13-22(14-16-36)21-7-10-24(11-8-21)33-31-32-18-26-28(38)27(30(39)35-40-2)19-37(29(26)34-31)25-12-9-20-5-4-6-23(20)17-25/h7-12,17-19,22H,3-6,13-16H2,1-2H3,(H,35,39)(H,32,33,34).
What are the key properties of 8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 538.65 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24784165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).