N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine

C15H17N5 — CID 154338498

IUPACN-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine
SMILESCc1nccc2nc(NCCCn3ccnc3)ccc12
InChIInChI=1S/C15H17N5/c1-12-13-3-4-15(19-14(13)5-7-17-12)18-6-2-9-20-10-8-16-11-20/h3-5,7-8,10-11H,2,6,9H2,1H3,(H,18,19)
InChIKeyNITZRDIWVHXXOM-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.64
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine

N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine (PubChem CID 154338498) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine
PubChem CID154338498
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine
SMILESCc1nccc2nc(NCCCn3ccnc3)ccc12
InChIInChI=1S/C15H17N5/c1-12-13-3-4-15(19-14(13)5-7-17-12)18-6-2-9-20-10-8-16-11-20/h3-5,7-8,10-11H,2,6,9H2,1H3,(H,18,19)
InChIKeyNITZRDIWVHXXOM-UHFFFAOYSA-N
XLogP2.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine (CID 154338498) is N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine is Cc1nccc2nc(NCCCn3ccnc3)ccc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine?
The InChIKey is NITZRDIWVHXXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-12-13-3-4-15(19-14(13)5-7-17-12)18-6-2-9-20-10-8-16-11-20/h3-5,7-8,10-11H,2,6,9H2,1H3,(H,18,19).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine?
N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine has a molecular weight of 267.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine is sourced from PubChem (CID 154338498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).