5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C16H23N3O2 — CID 97406097

IUPAC5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
SMILESCN(C)C(=O)N1CCc2c(COCC3CC3)cncc2C1
InChIInChI=1S/C16H23N3O2/c1-18(2)16(20)19-6-5-15-13(9-19)7-17-8-14(15)11-21-10-12-3-4-12/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyXPISCYZLRFCNQD-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.05
Rot. Bonds4

About 5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 97406097) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
PubChem CID97406097
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
SMILESCN(C)C(=O)N1CCc2c(COCC3CC3)cncc2C1
InChIInChI=1S/C16H23N3O2/c1-18(2)16(20)19-6-5-15-13(9-19)7-17-8-14(15)11-21-10-12-3-4-12/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyXPISCYZLRFCNQD-UHFFFAOYSA-N
XLogP2.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine
CID 97463756
[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone
CID 97463759
N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide
CID 97463797
N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine
CID 118747168
5-(methoxymethyl)-2-(oxolan-3-yl)-3,4-dihydro-1H-2,7-naphthyridine
CID 131656644
5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
CID 97381960
[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone
CID 131688358
(3,3-difluorocyclobutyl)-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 131689356
(1-fluorocyclopropyl)-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 131689400
[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-fluorocyclopropyl)methanone
CID 131689402
(3,3-difluorocyclobutyl)-[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 131689677
2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide
CID 131689692

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The IUPAC name of 5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 97406097) is 5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The canonical SMILES for 5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is CN(C)C(=O)N1CCc2c(COCC3CC3)cncc2C1.
What is the InChIKey of 5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The InChIKey is XPISCYZLRFCNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18(2)16(20)19-6-5-15-13(9-19)7-17-8-14(15)11-21-10-12-3-4-12/h7-8,12H,3-6,9-11H2,1-2H3.
What are the key properties of 5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 97406097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).