5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine

C19H23N3O — CID 97381962

IUPAC5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESc1ccc(CN2CCc3c(COCC4CC4)cncc3C2)nc1
InChIInChI=1S/C19H23N3O/c1-2-7-21-18(3-1)12-22-8-6-19-16(11-22)9-20-10-17(19)14-23-13-15-4-5-15/h1-3,7,9-10,15H,4-6,8,11-14H2
InChIKeyKQPOPMDKYSIBIH-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.96
Rot. Bonds6

About 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine

5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 97381962) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID97381962
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESc1ccc(CN2CCc3c(COCC4CC4)cncc3C2)nc1
InChIInChI=1S/C19H23N3O/c1-2-7-21-18(3-1)12-22-8-6-19-16(11-22)9-20-10-17(19)14-23-13-15-4-5-15/h1-3,7,9-10,15H,4-6,8,11-14H2
InChIKeyKQPOPMDKYSIBIH-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 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine (CID 97381962) is 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine is c1ccc(CN2CCc3c(COCC4CC4)cncc3C2)nc1.
What is the InChIKey of 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is KQPOPMDKYSIBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-7-21-18(3-1)12-22-8-6-19-16(11-22)9-20-10-17(19)14-23-13-15-4-5-15/h1-3,7,9-10,15H,4-6,8,11-14H2.
What are the key properties of 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine?
5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-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 5-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 97381962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).