N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine

C11H15BrClN3 — CID 103584238

IUPACN-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
SMILESCN(CC1CC(N)C1)c1ncc(Br)cc1Cl
InChIInChI=1S/C11H15BrClN3/c1-16(6-7-2-9(14)3-7)11-10(13)4-8(12)5-15-11/h4-5,7,9H,2-3,6,14H2,1H3
InChIKeyRISGMSZHWDLPLE-UHFFFAOYSA-N
MW304.62 g/mol
LogP2.67
Rot. Bonds3

About N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine

N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine (PubChem CID 103584238) has the molecular formula C11H15BrClN3 and a molecular weight of 304.62 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
PubChem CID103584238
Molecular FormulaC11H15BrClN3
Molecular Weight304.62 g/mol
Exact Mass303.01
IUPAC NameN-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
SMILESCN(CC1CC(N)C1)c1ncc(Br)cc1Cl
InChIInChI=1S/C11H15BrClN3/c1-16(6-7-2-9(14)3-7)11-10(13)4-8(12)5-15-11/h4-5,7,9H,2-3,6,14H2,1H3
InChIKeyRISGMSZHWDLPLE-UHFFFAOYSA-N
XLogP2.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106642794
2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide
CID 103583156
N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103582930
5-bromo-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]pyridine-2,3-diamine
CID 63879585
3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]propanethioamide
CID 103582230
5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine
CID 103583262
5-bromo-3-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 103580299
5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400761
3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine
CID 62855860
5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide
CID 75418381
5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine
CID 103584084
5-bromo-3-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine
CID 103580325

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine (CID 103584238) is N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine is CN(CC1CC(N)C1)c1ncc(Br)cc1Cl.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine?
The InChIKey is RISGMSZHWDLPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3/c1-16(6-7-2-9(14)3-7)11-10(13)4-8(12)5-15-11/h4-5,7,9H,2-3,6,14H2,1H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine?
N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine has a molecular weight of 304.62 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 103584238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).