2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine

C19H23N3O — CID 97463839

IUPAC2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESc1cc(COCc2cncc3c2CCN(CC2CC2)C3)ccn1
InChIInChI=1S/C19H23N3O/c1-2-15(1)11-22-8-5-19-17(12-22)9-21-10-18(19)14-23-13-16-3-6-20-7-4-16/h3-4,6-7,9-10,15H,1-2,5,8,11-14H2
InChIKeyCDJMICIFZSTINM-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.96
Rot. Bonds6

About 2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine

2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 97463839) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID97463839
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESc1cc(COCc2cncc3c2CCN(CC2CC2)C3)ccn1
InChIInChI=1S/C19H23N3O/c1-2-15(1)11-22-8-5-19-17(12-22)9-21-10-18(19)14-23-13-16-3-6-20-7-4-16/h3-4,6-7,9-10,15H,1-2,5,8,11-14H2
InChIKeyCDJMICIFZSTINM-UHFFFAOYSA-N
XLogP2.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine (CID 97463839) is 2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine is c1cc(COCc2cncc3c2CCN(CC2CC2)C3)ccn1.
What is the InChIKey of 2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is CDJMICIFZSTINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-15(1)11-22-8-5-19-17(12-22)9-21-10-18(19)14-23-13-16-3-6-20-7-4-16/h3-4,6-7,9-10,15H,1-2,5,8,11-14H2.
What are the key properties of 2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 309.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 97463839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).