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

C25H23N5O3 — CID 166625757

IUPAC7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1ccccn1
InChIInChI=1S/C25H23N5O3/c1-17(2)33-22-14-23(27-15-19(22)9-10-20-7-3-4-12-26-20)29-25(32)30-13-5-6-18-8-11-21(16-31)28-24(18)30/h3-4,7-8,11-12,14-17H,5-6,13H2,1-2H3,(H,27,29,32)
InChIKeyYCWJXKRCBZLEPZ-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.86
Rot. Bonds4

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

7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 166625757) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID166625757
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1ccccn1
InChIInChI=1S/C25H23N5O3/c1-17(2)33-22-14-23(27-15-19(22)9-10-20-7-3-4-12-26-20)29-25(32)30-13-5-6-18-8-11-21(16-31)28-24(18)30/h3-4,7-8,11-12,14-17H,5-6,13H2,1-2H3,(H,27,29,32)
InChIKeyYCWJXKRCBZLEPZ-UHFFFAOYSA-N
XLogP3.86
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-propan-2-yloxy-5-(2-pyridin-2-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-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 166625757) is 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-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-pyridin-2-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-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1ccccn1.
What is the InChIKey of 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is YCWJXKRCBZLEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-17(2)33-22-14-23(27-15-19(22)9-10-20-7-3-4-12-26-20)29-25(32)30-13-5-6-18-8-11-21(16-31)28-24(18)30/h3-4,7-8,11-12,14-17H,5-6,13H2,1-2H3,(H,27,29,32).
What are the key properties of 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 166625757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).