N-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine

C16H22ClN3S — CID 115939367

IUPACN-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine
SMILESCCNC(CC)c1ccc(N(C)Cc2ccc(Cl)s2)cn1
InChIInChI=1S/C16H22ClN3S/c1-4-14(18-5-2)15-8-6-12(10-19-15)20(3)11-13-7-9-16(17)21-13/h6-10,14,18H,4-5,11H2,1-3H3
InChIKeyIKSQPZVNGKXSCC-UHFFFAOYSA-N
MW323.89 g/mol
LogP4.49
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine

N-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine (PubChem CID 115939367) has the molecular formula C16H22ClN3S and a molecular weight of 323.89 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine
PubChem CID115939367
Molecular FormulaC16H22ClN3S
Molecular Weight323.89 g/mol
Exact Mass323.12
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine
SMILESCCNC(CC)c1ccc(N(C)Cc2ccc(Cl)s2)cn1
InChIInChI=1S/C16H22ClN3S/c1-4-14(18-5-2)15-8-6-12(10-19-15)20(3)11-13-7-9-16(17)21-13/h6-10,14,18H,4-5,11H2,1-3H3
InChIKeyIKSQPZVNGKXSCC-UHFFFAOYSA-N
XLogP4.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(ethylamino)propyl]-N,N-dimethylpyridin-3-amine
CID 112584103
6-[1-(ethylamino)propyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-3-amine
CID 115939493
6-[1-(ethylamino)propyl]-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 112584276
N-(cyclopropylmethyl)-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine
CID 112584247
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103947737
6-[1-(ethylamino)propyl]-N-methyl-N-(2-methylsulfonylethyl)pyridin-3-amine
CID 115939736
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol
CID 104552388
N-cyclohexyl-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine
CID 115939191
N'-ethyl-N'-[6-[1-(ethylamino)propyl]-3-pyridinyl]-N,N-dimethylpropane-1,3-diamine
CID 102994077
N-methyl-6-[1-(methylamino)propyl]-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine
CID 115939341
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 61438708
N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine
CID 112584544

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine (CID 115939367) is N-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine is CCNC(CC)c1ccc(N(C)Cc2ccc(Cl)s2)cn1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine?
The InChIKey is IKSQPZVNGKXSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3S/c1-4-14(18-5-2)15-8-6-12(10-19-15)20(3)11-13-7-9-16(17)21-13/h6-10,14,18H,4-5,11H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine?
N-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine has a molecular weight of 323.89 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine is sourced from PubChem (CID 115939367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).