N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine

C16H22ClN3S — CID 81248386

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCc1cc(N(C)Cc2ccc(Cl)s2)c(CNC(C)C)cn1
InChIInChI=1S/C16H22ClN3S/c1-11(2)18-8-13-9-19-12(3)7-15(13)20(4)10-14-5-6-16(17)21-14/h5-7,9,11,18H,8,10H2,1-4H3
InChIKeyJNQRTRJNCLLUEA-UHFFFAOYSA-N
MW323.89 g/mol
LogP4.24
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine

N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 81248386) has the molecular formula C16H22ClN3S and a molecular weight of 323.89 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID81248386
Molecular FormulaC16H22ClN3S
Molecular Weight323.89 g/mol
Exact Mass323.12
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCc1cc(N(C)Cc2ccc(Cl)s2)c(CNC(C)C)cn1
InChIInChI=1S/C16H22ClN3S/c1-11(2)18-8-13-9-19-12(3)7-15(13)20(4)10-14-5-6-16(17)21-14/h5-7,9,11,18H,8,10H2,1-4H3
InChIKeyJNQRTRJNCLLUEA-UHFFFAOYSA-N
XLogP4.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine with MolForge

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine
CID 81248839
N,2-dimethyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 81249931
N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine
CID 81247572
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62428901
N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247722
N,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247335
N-[[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431387
N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81246806
2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine
CID 81249870
5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81250101
2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 63815965
N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 82754948

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 81248386) is N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine is Cc1cc(N(C)Cc2ccc(Cl)s2)c(CNC(C)C)cn1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is JNQRTRJNCLLUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3S/c1-11(2)18-8-13-9-19-12(3)7-15(13)20(4)10-14-5-6-16(17)21-14/h5-7,9,11,18H,8,10H2,1-4H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 323.89 g/mol, XLogP of 4.24, 6 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]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 81248386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).