N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine

C16H22BrN3S — CID 62288831

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1ccc(N(C)Cc2csc(Br)c2)nc1
InChIInChI=1S/C16H22BrN3S/c1-12(2)7-18-8-13-4-5-16(19-9-13)20(3)10-14-6-15(17)21-11-14/h4-6,9,11-12,18H,7-8,10H2,1-3H3
InChIKeyYYHHPRYXFQKXEO-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.29
Rot. Bonds7

About N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 62288831) has the molecular formula C16H22BrN3S and a molecular weight of 368.34 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID62288831
Molecular FormulaC16H22BrN3S
Molecular Weight368.34 g/mol
Exact Mass367.07
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1ccc(N(C)Cc2csc(Br)c2)nc1
InChIInChI=1S/C16H22BrN3S/c1-12(2)7-18-8-13-4-5-16(19-9-13)20(3)10-14-6-15(17)21-11-14/h4-6,9,11-12,18H,7-8,10H2,1-3H3
InChIKeyYYHHPRYXFQKXEO-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine with MolForge

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Related Compounds

[6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol
CID 54986955
N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 63837746
N-(2,2-dimethylpropyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287062
N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280275
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 81057672
N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine
CID 80632198
N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556552
N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80630475
2-N-[(5-bromothiophen-3-yl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62461722
(1S)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131703
(1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131878
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287410

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 62288831) is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine is CC(C)CNCc1ccc(N(C)Cc2csc(Br)c2)nc1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is YYHHPRYXFQKXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3S/c1-12(2)7-18-8-13-4-5-16(19-9-13)20(3)10-14-6-15(17)21-11-14/h4-6,9,11-12,18H,7-8,10H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 368.34 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62288831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).