N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine

C15H19BrClN3S — CID 114925898

IUPACN-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(N(C)Cc2cc(Br)cs2)ncc1Cl
InChIInChI=1S/C15H19BrClN3S/c1-3-4-18-7-11-5-15(19-8-14(11)17)20(2)9-13-6-12(16)10-21-13/h5-6,8,10,18H,3-4,7,9H2,1-2H3
InChIKeyOQBZZGXZZQIYME-UHFFFAOYSA-N
MW388.76 g/mol
LogP4.70
Rot. Bonds7

About N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine

N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine (PubChem CID 114925898) has the molecular formula C15H19BrClN3S and a molecular weight of 388.76 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine
PubChem CID114925898
Molecular FormulaC15H19BrClN3S
Molecular Weight388.76 g/mol
Exact Mass387.02
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(N(C)Cc2cc(Br)cs2)ncc1Cl
InChIInChI=1S/C15H19BrClN3S/c1-3-4-18-7-11-5-15(19-8-14(11)17)20(2)9-13-6-12(16)10-21-13/h5-6,8,10,18H,3-4,7,9H2,1-2H3
InChIKeyOQBZZGXZZQIYME-UHFFFAOYSA-N
XLogP4.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.76
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926307
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925750
5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925371
N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine
CID 114925296
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-2-(propylaminomethyl)aniline
CID 63552121
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(propylaminomethyl)aniline
CID 63551376
N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767191
5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine
CID 114925412
N-[(4-bromothiophen-2-yl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methylpyridin-2-amine
CID 80632198
N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine
CID 107373412
5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 114925483
N-[[6-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906183

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine (CID 114925898) is N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine is CCCNCc1cc(N(C)Cc2cc(Br)cs2)ncc1Cl.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine?
The InChIKey is OQBZZGXZZQIYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3S/c1-3-4-18-7-11-5-15(19-8-14(11)17)20(2)9-13-6-12(16)10-21-13/h5-6,8,10,18H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine has a molecular weight of 388.76 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 114925898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).