1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide

C11H13BrClN3O — CID 114052049

IUPAC1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2cc(Br)cnc2Cl)CCC1
InChIInChI=1S/C11H13BrClN3O/c12-7-4-8(9(13)15-5-7)16-10(17)11(6-14)2-1-3-11/h4-5H,1-3,6,14H2,(H,16,17)
InChIKeyIXDKLVISWIRAQW-UHFFFAOYSA-N
MW318.60 g/mol
LogP2.57
Rot. Bonds3

About 1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide (PubChem CID 114052049) has the molecular formula C11H13BrClN3O and a molecular weight of 318.60 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide
PubChem CID114052049
Molecular FormulaC11H13BrClN3O
Molecular Weight318.60 g/mol
Exact Mass316.99
IUPAC Name1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2cc(Br)cnc2Cl)CCC1
InChIInChI=1S/C11H13BrClN3O/c12-7-4-8(9(13)15-5-7)16-10(17)11(6-14)2-1-3-11/h4-5H,1-3,6,14H2,(H,16,17)
InChIKeyIXDKLVISWIRAQW-UHFFFAOYSA-N
XLogP2.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide
CID 83166521
1-(aminomethyl)-N-(5-bromo-2-cyanophenyl)cyclobutane-1-carboxamide
CID 107798245
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-bromobenzoic acid
CID 115435155
1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
CID 115443809
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-4-bromobenzoic acid
CID 115437697
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide
CID 82756642
1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide
CID 113311601
1-(aminomethyl)-N-(2-bromo-4-iodophenyl)cyclobutane-1-carboxamide
CID 114259927
1-(aminomethyl)-N-(4-bromo-2-cyanophenyl)cyclobutane-1-carboxamide
CID 82708785
1-(aminomethyl)-N-(2,4,6-trichlorophenyl)cyclobutane-1-carboxamide
CID 115447386

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide (CID 114052049) is 1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide is NCC1(C(=O)Nc2cc(Br)cnc2Cl)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide?
The InChIKey is IXDKLVISWIRAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3O/c12-7-4-8(9(13)15-5-7)16-10(17)11(6-14)2-1-3-11/h4-5H,1-3,6,14H2,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide has a molecular weight of 318.60 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114052049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).