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

C25H22N6O2 — CID 166630572

IUPACN-[4-(cyclopropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESO=Cc1ccc2c(n1)N(C(=O)Nc1cc(NC3CC3)c(C#Cc3ccccn3)cn1)CCC2
InChIInChI=1S/C25H22N6O2/c32-16-21-9-6-17-4-3-13-31(24(17)29-21)25(33)30-23-14-22(28-20-10-11-20)18(15-27-23)7-8-19-5-1-2-12-26-19/h1-2,5-6,9,12,14-16,20H,3-4,10-11,13H2,(H2,27,28,30,33)
InChIKeyJXGFOELAWWJSDR-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.64
Rot. Bonds4

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

N-[4-(cyclopropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 166630572) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID166630572
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC NameN-[4-(cyclopropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESO=Cc1ccc2c(n1)N(C(=O)Nc1cc(NC3CC3)c(C#Cc3ccccn3)cn1)CCC2
InChIInChI=1S/C25H22N6O2/c32-16-21-9-6-17-4-3-13-31(24(17)29-21)25(33)30-23-14-22(28-20-10-11-20)18(15-27-23)7-8-19-5-1-2-12-26-19/h1-2,5-6,9,12,14-16,20H,3-4,10-11,13H2,(H2,27,28,30,33)
InChIKeyJXGFOELAWWJSDR-UHFFFAOYSA-N
XLogP3.64
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.64
H-Bond Donors ≤ 52
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 N-[4-(cyclopropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[4-(cyclopropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 166630572) is N-[4-(cyclopropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[4-(cyclopropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is O=Cc1ccc2c(n1)N(C(=O)Nc1cc(NC3CC3)c(C#Cc3ccccn3)cn1)CCC2.
What is the InChIKey of N-[4-(cyclopropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is JXGFOELAWWJSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c32-16-21-9-6-17-4-3-13-31(24(17)29-21)25(33)30-23-14-22(28-20-10-11-20)18(15-27-23)7-8-19-5-1-2-12-26-19/h1-2,5-6,9,12,14-16,20H,3-4,10-11,13H2,(H2,27,28,30,33).
What are the key properties of N-[4-(cyclopropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[4-(cyclopropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 166630572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).