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

C25H24N6O3 — CID 166629143

IUPAC7-formyl-N-[4-(2-methoxyethylamino)-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cccnc1
InChIInChI=1S/C25H24N6O3/c1-34-13-11-27-22-14-23(28-16-20(22)7-6-18-4-2-10-26-15-18)30-25(33)31-12-3-5-19-8-9-21(17-32)29-24(19)31/h2,4,8-10,14-17H,3,5,11-13H2,1H3,(H2,27,28,30,33)
InChIKeyFDWQXFVMGXGNFN-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.13
Rot. Bonds6

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

7-formyl-N-[4-(2-methoxyethylamino)-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 166629143) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 7-formyl-N-[4-(2-methoxyethylamino)-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-formyl-N-[4-(2-methoxyethylamino)-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID166629143
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name7-formyl-N-[4-(2-methoxyethylamino)-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cccnc1
InChIInChI=1S/C25H24N6O3/c1-34-13-11-27-22-14-23(28-16-20(22)7-6-18-4-2-10-26-15-18)30-25(33)31-12-3-5-19-8-9-21(17-32)29-24(19)31/h2,4,8-10,14-17H,3,5,11-13H2,1H3,(H2,27,28,30,33)
InChIKeyFDWQXFVMGXGNFN-UHFFFAOYSA-N
XLogP3.13
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-formyl-N-[4-(2-methoxyethylamino)-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 7-formyl-N-[4-(2-methoxyethylamino)-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 166629143) is 7-formyl-N-[4-(2-methoxyethylamino)-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 7-formyl-N-[4-(2-methoxyethylamino)-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 7-formyl-N-[4-(2-methoxyethylamino)-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1cccnc1.
What is the InChIKey of 7-formyl-N-[4-(2-methoxyethylamino)-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is FDWQXFVMGXGNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-34-13-11-27-22-14-23(28-16-20(22)7-6-18-4-2-10-26-15-18)30-25(33)31-12-3-5-19-8-9-21(17-32)29-24(19)31/h2,4,8-10,14-17H,3,5,11-13H2,1H3,(H2,27,28,30,33).
What are the key properties of 7-formyl-N-[4-(2-methoxyethylamino)-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-formyl-N-[4-(2-methoxyethylamino)-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 456.51 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-formyl-N-[4-(2-methoxyethylamino)-5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 166629143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).