[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone

C19H21N3O2 — CID 97381966

IUPAC[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCc2c(COCC3CC3)cncc2C1
InChIInChI=1S/C19H21N3O2/c23-19(15-3-6-20-7-4-15)22-8-5-18-16(11-22)9-21-10-17(18)13-24-12-14-1-2-14/h3-4,6-7,9-10,14H,1-2,5,8,11-13H2
InChIKeyUVMBFPHFHZSUST-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.60
Rot. Bonds5

About [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone

[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone (PubChem CID 97381966) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone
PubChem CID97381966
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCc2c(COCC3CC3)cncc2C1
InChIInChI=1S/C19H21N3O2/c23-19(15-3-6-20-7-4-15)22-8-5-18-16(11-22)9-21-10-17(18)13-24-12-14-1-2-14/h3-4,6-7,9-10,14H,1-2,5,8,11-13H2
InChIKeyUVMBFPHFHZSUST-UHFFFAOYSA-N
XLogP2.60
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone (CID 97381966) is [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCc2c(COCC3CC3)cncc2C1.
What is the InChIKey of [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone?
The InChIKey is UVMBFPHFHZSUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(15-3-6-20-7-4-15)22-8-5-18-16(11-22)9-21-10-17(18)13-24-12-14-1-2-14/h3-4,6-7,9-10,14H,1-2,5,8,11-13H2.
What are the key properties of [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone?
[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone has a molecular weight of 323.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 97381966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).