N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

C16H22BrN3S — CID 80631429

IUPACN-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCc1cc(CNC(C)C)cnc1N(C)Cc1csc(Br)c1
InChIInChI=1S/C16H22BrN3S/c1-11(2)18-7-13-5-12(3)16(19-8-13)20(4)9-14-6-15(17)21-10-14/h5-6,8,10-11,18H,7,9H2,1-4H3
InChIKeyPMJWGKHZXRIARU-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.35
Rot. Bonds6

About N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 80631429) 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,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID80631429
Molecular FormulaC16H22BrN3S
Molecular Weight368.34 g/mol
Exact Mass367.07
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCc1cc(CNC(C)C)cnc1N(C)Cc1csc(Br)c1
InChIInChI=1S/C16H22BrN3S/c1-11(2)18-7-13-5-12(3)16(19-8-13)20(4)9-14-6-15(17)21-10-14/h5-6,8,10-11,18H,7,9H2,1-4H3
InChIKeyPMJWGKHZXRIARU-UHFFFAOYSA-N
XLogP4.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine with MolForge

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62287934
[6-[(5-bromothiophen-3-yl)methyl-methylamino]-5-methyl-3-pyridinyl]methanol
CID 80631809
N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80630765
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62753618
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287410
3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876846
N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80635331
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62288831
N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62463135
N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631971
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62461899

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 80631429) is N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is Cc1cc(CNC(C)C)cnc1N(C)Cc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is PMJWGKHZXRIARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3S/c1-11(2)18-7-13-5-12(3)16(19-8-13)20(4)9-14-6-15(17)21-10-14/h5-6,8,10-11,18H,7,9H2,1-4H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 368.34 g/mol, XLogP of 4.35, 6 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,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 80631429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).