8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide

C29H30N6O3 — CID 24937746

IUPAC8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CCNCC4)cc3)ncc2c1=O
InChIInChI=1S/C29H30N6O3/c1-38-34-28(37)25-17-35(23-10-7-18-3-2-4-21(18)15-23)27-24(26(25)36)16-31-29(33-27)32-22-8-5-19(6-9-22)20-11-13-30-14-12-20/h5-10,15-17,20,30H,2-4,11-14H2,1H3,(H,34,37)(H,31,32,33)
InChIKeyQITJGANHTIQNPN-UHFFFAOYSA-N
MW510.60 g/mol
LogP3.77
Rot. Bonds6

About 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide

8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24937746) has the molecular formula C29H30N6O3 and a molecular weight of 510.60 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID24937746
Molecular FormulaC29H30N6O3
Molecular Weight510.60 g/mol
Exact Mass510.24
IUPAC Name8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CCNCC4)cc3)ncc2c1=O
InChIInChI=1S/C29H30N6O3/c1-38-34-28(37)25-17-35(23-10-7-18-3-2-4-21(18)15-23)27-24(26(25)36)16-31-29(33-27)32-22-8-5-19(6-9-22)20-11-13-30-14-12-20/h5-10,15-17,20,30H,2-4,11-14H2,1H3,(H,34,37)(H,31,32,33)
InChIKeyQITJGANHTIQNPN-UHFFFAOYSA-N
XLogP3.77
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.60
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 24937746) is 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide is CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CCNCC4)cc3)ncc2c1=O.
What is the InChIKey of 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QITJGANHTIQNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O3/c1-38-34-28(37)25-17-35(23-10-7-18-3-2-4-21(18)15-23)27-24(26(25)36)16-31-29(33-27)32-22-8-5-19(6-9-22)20-11-13-30-14-12-20/h5-10,15-17,20,30H,2-4,11-14H2,1H3,(H,34,37)(H,31,32,33).
What are the key properties of 8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 510.60 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 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)-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24937746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).