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

C21H30N2O2 — CID 131689608

IUPAC[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCc3c(COCC4CC4)cncc3C2)CC1
InChIInChI=1S/C21H30N2O2/c1-15-2-6-17(7-3-15)21(24)23-9-8-20-18(12-23)10-22-11-19(20)14-25-13-16-4-5-16/h10-11,15-17H,2-9,12-14H2,1H3
InChIKeyMZTHXUBLYHCPTJ-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.72
Rot. Bonds5

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

[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone (PubChem CID 131689608) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone
PubChem CID131689608
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCc3c(COCC4CC4)cncc3C2)CC1
InChIInChI=1S/C21H30N2O2/c1-15-2-6-17(7-3-15)21(24)23-9-8-20-18(12-23)10-22-11-19(20)14-25-13-16-4-5-16/h10-11,15-17H,2-9,12-14H2,1H3
InChIKeyMZTHXUBLYHCPTJ-UHFFFAOYSA-N
XLogP3.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopent-3-en-1-yl-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 124803044
1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 155878126
1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone
CID 97463820
1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-3-methylsulfonylpropan-1-one
CID 131689668
[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone
CID 97463807
[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-2-ylmethanone
CID 97463814
3-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]benzonitrile
CID 97463815
[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 171672953
3-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]benzonitrile;2,2,2-trifluoroacetic acid
CID 118742816
1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 97463707
5-(cyclopropylmethoxymethyl)-2-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 155846246
5-(cyclopropylmethoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 171688737

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone?
The IUPAC name of [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone (CID 131689608) is [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone.
What is the SMILES notation for [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone?
The canonical SMILES for [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)N2CCc3c(COCC4CC4)cncc3C2)CC1.
What is the InChIKey of [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone?
The InChIKey is MZTHXUBLYHCPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-15-2-6-17(7-3-15)21(24)23-9-8-20-18(12-23)10-22-11-19(20)14-25-13-16-4-5-16/h10-11,15-17H,2-9,12-14H2,1H3.
What are the key properties of [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone?
[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone has a molecular weight of 342.48 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 131689608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).