N-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine

C15H16ClN3S — CID 144889444

IUPACN-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine
SMILESCc1cc(-c2cnc(Cl)c(SNC3CCC3)c2)ccn1
InChIInChI=1S/C15H16ClN3S/c1-10-7-11(5-6-17-10)12-8-14(15(16)18-9-12)20-19-13-3-2-4-13/h5-9,13,19H,2-4H2,1H3
InChIKeyKQUZIFWYVQUPCG-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.25
Rot. Bonds4

About N-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine

N-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine (PubChem CID 144889444) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is N-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine
PubChem CID144889444
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC NameN-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine
SMILESCc1cc(-c2cnc(Cl)c(SNC3CCC3)c2)ccn1
InChIInChI=1S/C15H16ClN3S/c1-10-7-11(5-6-17-10)12-8-14(15(16)18-9-12)20-19-13-3-2-4-13/h5-9,13,19H,2-4H2,1H3
InChIKeyKQUZIFWYVQUPCG-UHFFFAOYSA-N
XLogP4.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine with MolForge

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Related Compounds

2-N-(cyclopropylmethyl)-5-(2-methyl-4-pyridinyl)pyridine-2,3-diamine
CID 144889225
N-(2,5-dichloro-4-methylphenyl)sulfanylcyclohexanamine
CID 142297693
2,3,5-trichloro-6-(2-methyl-4-pyridinyl)pyridine
CID 102752756
4-cyclobutyloxy-2-methylpyridine
CID 70661228
3-(2-methyl-4-pyridinyl)-7H-cyclopenta[b]pyridine
CID 158490130
N-methyl-4-(2-methyl-4-pyridinyl)pyridin-2-amine
CID 130377079
3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine
CID 151706255
3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile
CID 90167151
1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride
CID 23652974
iodomethane;2-methyl-4-phenylpyridine
CID 143719183
2-chloro-N-cyclododecyl-4-methylpyridin-3-amine
CID 65485507
(2S)-1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419702

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine?
The IUPAC name of N-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine (CID 144889444) is N-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine.
What is the SMILES notation for N-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine?
The canonical SMILES for N-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine is Cc1cc(-c2cnc(Cl)c(SNC3CCC3)c2)ccn1.
What is the InChIKey of N-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine?
The InChIKey is KQUZIFWYVQUPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-10-7-11(5-6-17-10)12-8-14(15(16)18-9-12)20-19-13-3-2-4-13/h5-9,13,19H,2-4H2,1H3.
What are the key properties of N-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine?
N-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine has a molecular weight of 305.83 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinyl]sulfanyl]cyclobutanamine is sourced from PubChem (CID 144889444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).