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

C12H15BrClN3O — CID 146537200

IUPAC3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCC(CNc2cc(Cl)c(Br)cn2)C1
InChIInChI=1S/C12H15BrClN3O/c13-9-6-17-11(4-10(9)14)16-5-7-1-2-8(3-7)12(15)18/h4,6-8H,1-3,5H2,(H2,15,18)(H,16,17)
InChIKeyFTGXCCXLFMDNFE-UHFFFAOYSA-N
MW332.63 g/mol
LogP2.81
Rot. Bonds4

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

3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxamide (PubChem CID 146537200) has the molecular formula C12H15BrClN3O and a molecular weight of 332.63 g/mol. Its IUPAC name is 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxamide
PubChem CID146537200
Molecular FormulaC12H15BrClN3O
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC Name3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCC(CNc2cc(Cl)c(Br)cn2)C1
InChIInChI=1S/C12H15BrClN3O/c13-9-6-17-11(4-10(9)14)16-5-7-1-2-8(3-7)12(15)18/h4,6-8H,1-3,5H2,(H2,15,18)(H,16,17)
InChIKeyFTGXCCXLFMDNFE-UHFFFAOYSA-N
XLogP2.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 146537232
3-[(2-tert-butyl-4-chloroanilino)methyl]cyclopentane-1-carboxamide
CID 57447304
5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 130572235
5-amino-2-[(4-methylcyclohexyl)methylamino]pyridine-4-carboxamide
CID 114090347
4-[[4-(aminomethyl)cyclohexyl]methylamino]-6-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 11951250
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 106193759
N-(5-bromo-4-chloro-2-pyridinyl)formamide
CID 130765966
4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide
CID 101049926
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
N-(5-bromo-4-chloro-2-pyridinyl)-3-methylbut-2-enamide
CID 130834673
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxamide (CID 146537200) is 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxamide is NC(=O)C1CCC(CNc2cc(Cl)c(Br)cn2)C1.
What is the InChIKey of 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxamide?
The InChIKey is FTGXCCXLFMDNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN3O/c13-9-6-17-11(4-10(9)14)16-5-7-1-2-8(3-7)12(15)18/h4,6-8H,1-3,5H2,(H2,15,18)(H,16,17).
What are the key properties of 3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxamide?
3-[[(5-bromo-4-chloro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxamide has a molecular weight of 332.63 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 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]cyclopentane-1-carboxamide is sourced from PubChem (CID 146537200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).