N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine

C15H20BrN3S — CID 62287410

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cc(N(C)Cc2csc(Br)c2)ccn1
InChIInChI=1S/C15H20BrN3S/c1-11(2)18-8-13-7-14(4-5-17-13)19(3)9-12-6-15(16)20-10-12/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyNOVKFTIWOXNXSY-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.04
Rot. Bonds6

About N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 62287410) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID62287410
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cc(N(C)Cc2csc(Br)c2)ccn1
InChIInChI=1S/C15H20BrN3S/c1-11(2)18-8-13-7-14(4-5-17-13)19(3)9-12-6-15(16)20-10-12/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyNOVKFTIWOXNXSY-UHFFFAOYSA-N
XLogP4.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287320
N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine
CID 62287412
N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62280879
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62282160
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyridin-4-amine
CID 62282233
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]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631429
N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62287934
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62463135
N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 63865437
4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62463683

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 62287410) is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine is CC(C)NCc1cc(N(C)Cc2csc(Br)c2)ccn1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is NOVKFTIWOXNXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S/c1-11(2)18-8-13-7-14(4-5-17-13)19(3)9-12-6-15(16)20-10-12/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 354.32 g/mol, XLogP of 4.04, 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-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 62287410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).