N-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine

C14H12N4S — CID 164876897

IUPACN-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine
SMILESCc1cccnc1SNc1cncc2cccnc12
InChIInChI=1S/C14H12N4S/c1-10-4-2-7-17-14(10)19-18-12-9-15-8-11-5-3-6-16-13(11)12/h2-9,18H,1H3
InChIKeyMUJHJUJAYNRUSH-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.45
Rot. Bonds3

About N-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine

N-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine (PubChem CID 164876897) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine
PubChem CID164876897
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC NameN-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine
SMILESCc1cccnc1SNc1cncc2cccnc12
InChIInChI=1S/C14H12N4S/c1-10-4-2-7-17-14(10)19-18-12-9-15-8-11-5-3-6-16-13(11)12/h2-9,18H,1H3
InChIKeyMUJHJUJAYNRUSH-UHFFFAOYSA-N
XLogP3.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine
CID 164876681
N-butan-2-yl-1,6-naphthyridin-8-amine
CID 91953467
N-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine
CID 164876668
ethane;1,6-naphthyridin-8-ol
CID 90698310
1,6-naphthyridin-8-amine
CID 55290958
(3-methyl-2-pyridinyl) thiohypofluorite
CID 145413096
4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 151797185
2-(difluoromethylsulfanyl)-3-methylpyridine
CID 145376721
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,6-naphthyridin-8-amine
CID 91953407
N-phenylsulfanylquinolin-8-amine
CID 123285595
pyrido[3,2-h]quinazoline
CID 55297723
8-isocyano-1,6-naphthyridine
CID 58972917

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine (CID 164876897) is N-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine is Cc1cccnc1SNc1cncc2cccnc12.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine?
The InChIKey is MUJHJUJAYNRUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-10-4-2-7-17-14(10)19-18-12-9-15-8-11-5-3-6-16-13(11)12/h2-9,18H,1H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine?
N-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine has a molecular weight of 268.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine is sourced from PubChem (CID 164876897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).