3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine

C15H22BrN3 — CID 106876188

IUPAC3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESCc1ccnc(N(CC2CCNCC2)C2CC2)c1Br
InChIInChI=1S/C15H22BrN3/c1-11-4-9-18-15(14(11)16)19(13-2-3-13)10-12-5-7-17-8-6-12/h4,9,12-13,17H,2-3,5-8,10H2,1H3
InChIKeyJXDREKOWEIMIGD-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.12
Rot. Bonds4

About 3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine

3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine (PubChem CID 106876188) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
PubChem CID106876188
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESCc1ccnc(N(CC2CCNCC2)C2CC2)c1Br
InChIInChI=1S/C15H22BrN3/c1-11-4-9-18-15(14(11)16)19(13-2-3-13)10-12-5-7-17-8-6-12/h4,9,12-13,17H,2-3,5-8,10H2,1H3
InChIKeyJXDREKOWEIMIGD-UHFFFAOYSA-N
XLogP3.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 106876124
N-cyclopropyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 79720212
3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile
CID 79719645
N-cyclopropyl-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732739
N-cyclopropyl-N-(piperidin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400593
N-cyclopropyl-6-ethoxy-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719364
N-cyclopropyl-1-methyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 79705738
3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine
CID 106879028
3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 106876197
4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 79705470
N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine
CID 79719436
3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 106876520

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine (CID 106876188) is 3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine is Cc1ccnc(N(CC2CCNCC2)C2CC2)c1Br.
What is the InChIKey of 3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The InChIKey is JXDREKOWEIMIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c1-11-4-9-18-15(14(11)16)19(13-2-3-13)10-12-5-7-17-8-6-12/h4,9,12-13,17H,2-3,5-8,10H2,1H3.
What are the key properties of 3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine?
3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine has a molecular weight of 324.27 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106876188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).