N-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine

C9H11N3 — CID 135557765

IUPACN-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine
SMILESC/N=C1\CCc2cccnc2N1
InChIInChI=1S/C9H11N3/c1-10-8-5-4-7-3-2-6-11-9(7)12-8/h2-3,6H,4-5H2,1H3,(H,10,11,12)
InChIKeyDCHGDBGRMQXTAI-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.47
Rot. Bonds

About N-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine

N-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine (PubChem CID 135557765) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is N-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine.

Molecular Properties

Compound NameN-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine
PubChem CID135557765
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC NameN-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine
SMILESC/N=C1\CCc2cccnc2N1
InChIInChI=1S/C9H11N3/c1-10-8-5-4-7-3-2-6-11-9(7)12-8/h2-3,6H,4-5H2,1H3,(H,10,11,12)
InChIKeyDCHGDBGRMQXTAI-UHFFFAOYSA-N
XLogP1.47
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-tetrahydro-1,8-naphthyridine;dihydrochloride
CID 142419123
7-iodo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 19067074
9-methyl-5,10-dihydrobenzo[b][1,8]naphthyridine
CID 10330313
3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen
CID 143776107
7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 23157087
8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine
CID 162263270
8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine
CID 121379663
7-ethyl-5,6-dihydrocyclopenta[b]pyridin-7-ol
CID 90296462
3-[1-(4-methylphenyl)piperidin-4-yl]-4,5-dihydro-1H-pyrido[2,3-d][1,3]diazepin-2-one
CID 145015164
7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol
CID 155363852
3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 67574475
1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one
CID 154974464

Frequently Asked Questions

What is the IUPAC name of N-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine?
The IUPAC name of N-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine (CID 135557765) is N-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine.
What is the SMILES notation for N-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine?
The canonical SMILES for N-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine is C/N=C1\CCc2cccnc2N1.
What is the InChIKey of N-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine?
The InChIKey is DCHGDBGRMQXTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-10-8-5-4-7-3-2-6-11-9(7)12-8/h2-3,6H,4-5H2,1H3,(H,10,11,12).
What are the key properties of N-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine?
N-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine has a molecular weight of 161.21 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-imine is sourced from PubChem (CID 135557765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).