5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine

C16H22BrN3S — CID 62288093

IUPAC5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCCN(Cc1cccs1)c1ncc(Br)cc1CNC(C)C
InChIInChI=1S/C16H22BrN3S/c1-4-20(11-15-6-5-7-21-15)16-13(9-18-12(2)3)8-14(17)10-19-16/h5-8,10,12,18H,4,9,11H2,1-3H3
InChIKeyNOEBTEIFWNQQCO-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.43
Rot. Bonds7

About 5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine

5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 62288093) has the molecular formula C16H22BrN3S and a molecular weight of 368.34 g/mol. Its IUPAC name is 5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID62288093
Molecular FormulaC16H22BrN3S
Molecular Weight368.34 g/mol
Exact Mass367.07
IUPAC Name5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCCN(Cc1cccs1)c1ncc(Br)cc1CNC(C)C
InChIInChI=1S/C16H22BrN3S/c1-4-20(11-15-6-5-7-21-15)16-13(9-18-12(2)3)8-14(17)10-19-16/h5-8,10,12,18H,4,9,11H2,1-3H3
InChIKeyNOEBTEIFWNQQCO-UHFFFAOYSA-N
XLogP4.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62287912
[5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol
CID 62000735
5-bromo-N-ethyl-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279366
5-bromo-N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281268
5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 55054384
3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55055076
5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282182
5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280121
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 55055106
5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
CID 54946602
3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61437900
4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 43527749

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 62288093) is 5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine is CCN(Cc1cccs1)c1ncc(Br)cc1CNC(C)C.
What is the InChIKey of 5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is NOEBTEIFWNQQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3S/c1-4-20(11-15-6-5-7-21-15)16-13(9-18-12(2)3)8-14(17)10-19-16/h5-8,10,12,18H,4,9,11H2,1-3H3.
What are the key properties of 5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine?
5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 368.34 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62288093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).