[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone

C17H21N5O — CID 124813693

IUPAC[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCc3c(CN(C)C)cncc3C2)cn1
InChIInChI=1S/C17H21N5O/c1-12-6-20-16(9-19-12)17(23)22-5-4-15-13(10-21(2)3)7-18-8-14(15)11-22/h6-9H,4-5,10-11H2,1-3H3
InChIKeyCXSHPDNUGAHAIQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.44
Rot. Bonds3

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

[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 124813693) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID124813693
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCc3c(CN(C)C)cncc3C2)cn1
InChIInChI=1S/C17H21N5O/c1-12-6-20-16(9-19-12)17(23)22-5-4-15-13(10-21(2)3)7-18-8-14(15)11-22/h6-9H,4-5,10-11H2,1-3H3
InChIKeyCXSHPDNUGAHAIQ-UHFFFAOYSA-N
XLogP1.44
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride
CID 155841271
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
1-[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 171697264
[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone
CID 91917934
2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997269
1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 97463707
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
(5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97463771
(5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97463736
1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride
CID 118742086

Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone (CID 124813693) is [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCc3c(CN(C)C)cncc3C2)cn1.
What is the InChIKey of [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is CXSHPDNUGAHAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12-6-20-16(9-19-12)17(23)22-5-4-15-13(10-21(2)3)7-18-8-14(15)11-22/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone?
[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 311.39 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 124813693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).