7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C24H22N6O3 — CID 166628903

IUPAC7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cncnc1
InChIInChI=1S/C24H22N6O3/c1-16(2)33-21-10-22(27-13-19(21)6-5-17-11-25-15-26-12-17)29-24(32)30-9-3-4-18-7-8-20(14-31)28-23(18)30/h7-8,10-16H,3-4,9H2,1-2H3,(H,27,29,32)
InChIKeyRPAXCRBQXCVMDW-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.25
Rot. Bonds4

About 7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 166628903) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID166628903
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cncnc1
InChIInChI=1S/C24H22N6O3/c1-16(2)33-21-10-22(27-13-19(21)6-5-17-11-25-15-26-12-17)29-24(32)30-9-3-4-18-7-8-20(14-31)28-23(18)30/h7-8,10-16H,3-4,9H2,1-2H3,(H,27,29,32)
InChIKeyRPAXCRBQXCVMDW-UHFFFAOYSA-N
XLogP3.25
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-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 7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 166628903) is 7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cncnc1.
What is the InChIKey of 7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is RPAXCRBQXCVMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-16(2)33-21-10-22(27-13-19(21)6-5-17-11-25-15-26-12-17)29-24(32)30-9-3-4-18-7-8-20(14-31)28-23(18)30/h7-8,10-16H,3-4,9H2,1-2H3,(H,27,29,32).
What are the key properties of 7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-formyl-N-[4-propan-2-yloxy-5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 166628903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).