3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C14H19BrClN3O — CID 146537232

IUPAC3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(CNc2cc(Cl)c(Br)cn2)C1
InChIInChI=1S/C14H19BrClN3O/c1-19(2)14(20)10-4-3-9(5-10)7-17-13-6-12(16)11(15)8-18-13/h6,8-10H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyKBHRTHVGDUWULJ-UHFFFAOYSA-N
MW360.68 g/mol
LogP3.41
Rot. Bonds4

About 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 146537232) has the molecular formula C14H19BrClN3O and a molecular weight of 360.68 g/mol. Its IUPAC name is 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID146537232
Molecular FormulaC14H19BrClN3O
Molecular Weight360.68 g/mol
Exact Mass359.04
IUPAC Name3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(CNc2cc(Cl)c(Br)cn2)C1
InChIInChI=1S/C14H19BrClN3O/c1-19(2)14(20)10-4-3-9(5-10)7-17-13-6-12(16)11(15)8-18-13/h6,8-10H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyKBHRTHVGDUWULJ-UHFFFAOYSA-N
XLogP3.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxamide
CID 146537200
1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 84590457
(3R)-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 97245441
N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine
CID 106125721
5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine
CID 106123930
5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 130572235
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483
1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 171690791
2-chloro-N-[4-[[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]methyl]cyclohexyl]-5-methylbenzamide
CID 58317388
5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 114869240
5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
CID 106125146
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 115773852

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 146537232) is 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CN(C)C(=O)C1CCC(CNc2cc(Cl)c(Br)cn2)C1.
What is the InChIKey of 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is KBHRTHVGDUWULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN3O/c1-19(2)14(20)10-4-3-9(5-10)7-17-13-6-12(16)11(15)8-18-13/h6,8-10H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 360.68 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 146537232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).