1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide

C14H20BrN3O — CID 83166521

IUPAC1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)C1(CN)CCCCC1
InChIInChI=1S/C14H20BrN3O/c1-10-7-11(15)8-17-12(10)18-13(19)14(9-16)5-3-2-4-6-14/h7-8H,2-6,9,16H2,1H3,(H,17,18,19)
InChIKeyBLIFEKWVLISLCE-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.00
Rot. Bonds3

About 1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 83166521) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide
PubChem CID83166521
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)C1(CN)CCCCC1
InChIInChI=1S/C14H20BrN3O/c1-10-7-11(15)8-17-12(10)18-13(19)14(9-16)5-3-2-4-6-14/h7-8H,2-6,9,16H2,1H3,(H,17,18,19)
InChIKeyBLIFEKWVLISLCE-UHFFFAOYSA-N
XLogP3.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-1-carbamothioylcycloheptane-1-carboxamide
CID 83166255
N-(5-bromo-3-methyl-2-pyridinyl)-1-carbamothioylcyclopentane-1-carboxamide
CID 83170534
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
1-(aminomethyl)-N-(5-bromo-2-chloro-3-pyridinyl)cyclobutane-1-carboxamide
CID 114052049
N-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine
CID 113360041
1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide
CID 115435354
N-(5-amino-3-methyl-2-pyridinyl)-1-methylcyclohexane-1-carboxamide
CID 106826116
1-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)cycloheptane-1-carboxamide
CID 107592153
1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 80587648
1-(aminomethyl)-N-(3-hydroxy-2-pyridinyl)cyclohexane-1-carboxamide
CID 70056756
1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
CID 115443809
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate
CID 83170551

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide (CID 83166521) is 1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide is Cc1cc(Br)cnc1NC(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is BLIFEKWVLISLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-10-7-11(15)8-17-12(10)18-13(19)14(9-16)5-3-2-4-6-14/h7-8H,2-6,9,16H2,1H3,(H,17,18,19).
What are the key properties of 1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 3.00, 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-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 83166521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).