[5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone

C14H14ClN3O — CID 143610377

IUPAC[5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone
SMILESCNc1cc(Cl)cnc1C(=O)c1c(C)ccnc1C
InChIInChI=1S/C14H14ClN3O/c1-8-4-5-17-9(2)12(8)14(19)13-11(16-3)6-10(15)7-18-13/h4-7,16H,1-3H3
InChIKeyKNOGYUHXVCLCRY-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.02
Rot. Bonds3

About [5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone

[5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone (PubChem CID 143610377) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is [5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone
PubChem CID143610377
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name[5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone
SMILESCNc1cc(Cl)cnc1C(=O)c1c(C)ccnc1C
InChIInChI=1S/C14H14ClN3O/c1-8-4-5-17-9(2)12(8)14(19)13-11(16-3)6-10(15)7-18-13/h4-7,16H,1-3H3
InChIKeyKNOGYUHXVCLCRY-UHFFFAOYSA-N
XLogP3.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide
CID 143262627
4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide
CID 143262676
methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride
CID 167762348
N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 58268189
4-chloro-N-[5-chloro-2-[2-(methylamino)benzoyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143262645
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-3-methylbenzoic acid
CID 11635148
N-(5-chloro-2-methyl-3-pyridinyl)acetamide;ethane
CID 142359065
N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 58268235
2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid
CID 58268135
5-chloro-N-(3-methoxyphenyl)-N-methyl-3-(methylamino)pyridine-2-carboxamide
CID 143610344
4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 159735316
4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268348

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone?
The IUPAC name of [5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone (CID 143610377) is [5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone.
What is the SMILES notation for [5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone?
The canonical SMILES for [5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone is CNc1cc(Cl)cnc1C(=O)c1c(C)ccnc1C.
What is the InChIKey of [5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone?
The InChIKey is KNOGYUHXVCLCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-8-4-5-17-9(2)12(8)14(19)13-11(16-3)6-10(15)7-18-13/h4-7,16H,1-3H3.
What are the key properties of [5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone?
[5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone has a molecular weight of 275.74 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone is sourced from PubChem (CID 143610377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).