1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide

C15H21BrN4O2 — CID 119875009

IUPAC1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(CC(=O)Nc1ccc(Br)cn1)C(=O)C1(N)CCCCC1
InChIInChI=1S/C15H21BrN4O2/c1-20(14(22)15(17)7-3-2-4-8-15)10-13(21)19-12-6-5-11(16)9-18-12/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,19,21)
InChIKeyHZQBVTSPVYIMOP-UHFFFAOYSA-N
MW369.26 g/mol
LogP1.90
Rot. Bonds4

About 1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide

1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 119875009) has the molecular formula C15H21BrN4O2 and a molecular weight of 369.26 g/mol. Its IUPAC name is 1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
PubChem CID119875009
Molecular FormulaC15H21BrN4O2
Molecular Weight369.26 g/mol
Exact Mass368.08
IUPAC Name1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(CC(=O)Nc1ccc(Br)cn1)C(=O)C1(N)CCCCC1
InChIInChI=1S/C15H21BrN4O2/c1-20(14(22)15(17)7-3-2-4-8-15)10-13(21)19-12-6-5-11(16)9-18-12/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,19,21)
InChIKeyHZQBVTSPVYIMOP-UHFFFAOYSA-N
XLogP1.90
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide
CID 119874977
2-(1-aminocyclopentyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 64684559
1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 119684846
1-amino-N-(5-bromo-2-pyridinyl)cyclopropane-1-carboxamide
CID 65466775
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
1-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 119291391
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119875001
1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119294398
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
CID 119875021
N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287887
1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60937922
N-(5-bromo-2-pyridinyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 47131087

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide (CID 119875009) is 1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide is CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is HZQBVTSPVYIMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O2/c1-20(14(22)15(17)7-3-2-4-8-15)10-13(21)19-12-6-5-11(16)9-18-12/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,19,21).
What are the key properties of 1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide?
1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 369.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 119875009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).