[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride

C19H24Cl2FN3O — CID 155841271

IUPAC[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride
SMILESCc1ccc(C(=O)N2CCc3c(CN(C)C)cncc3C2)cc1F.Cl.Cl
InChIInChI=1S/C19H22FN3O.2ClH/c1-13-4-5-14(8-18(13)20)19(24)23-7-6-17-15(11-22(2)3)9-21-10-16(17)12-23;;/h4-5,8-10H,6-7,11-12H2,1-3H3;2*1H
InChIKeyXQPKNMUQGSQEAX-UHFFFAOYSA-N
MW400.33 g/mol
LogP3.63
Rot. Bonds3

About [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride

[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride (PubChem CID 155841271) has the molecular formula C19H24Cl2FN3O and a molecular weight of 400.33 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride
PubChem CID155841271
Molecular FormulaC19H24Cl2FN3O
Molecular Weight400.33 g/mol
Exact Mass399.13
IUPAC Name[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride
SMILESCc1ccc(C(=O)N2CCc3c(CN(C)C)cncc3C2)cc1F.Cl.Cl
InChIInChI=1S/C19H22FN3O.2ClH/c1-13-4-5-14(8-18(13)20)19(24)23-7-6-17-15(11-22(2)3)9-21-10-16(17)12-23;;/h4-5,8-10H,6-7,11-12H2,1-3H3;2*1H
InChIKeyXQPKNMUQGSQEAX-UHFFFAOYSA-N
XLogP3.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone
CID 124813693
1-[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 131689696
[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-morpholin-4-ylmethanone
CID 97389711
[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131689721
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
1-[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 171697264
ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one
CID 67568721
(3-fluoro-4-methylphenyl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165031
1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride
CID 118742086
(3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 55879030
[4-(aminomethyl)phenyl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119282079

Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride?
The IUPAC name of [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride (CID 155841271) is [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride.
What is the SMILES notation for [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride?
The canonical SMILES for [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride is Cc1ccc(C(=O)N2CCc3c(CN(C)C)cncc3C2)cc1F.Cl.Cl.
What is the InChIKey of [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride?
The InChIKey is XQPKNMUQGSQEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O.2ClH/c1-13-4-5-14(8-18(13)20)19(24)23-7-6-17-15(11-22(2)3)9-21-10-16(17)12-23;;/h4-5,8-10H,6-7,11-12H2,1-3H3;2*1H.
What are the key properties of [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride?
[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride has a molecular weight of 400.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride is sourced from PubChem (CID 155841271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).