N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine

C16H20ClN3S — CID 81248839

IUPACN-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine
SMILESCc1cc(N(C)Cc2ccc(Cl)s2)c(CNC2CC2)cn1
InChIInChI=1S/C16H20ClN3S/c1-11-7-15(12(8-18-11)9-19-13-3-4-13)20(2)10-14-5-6-16(17)21-14/h5-8,13,19H,3-4,9-10H2,1-2H3
InChIKeyQYAAUIDJDYAYNU-UHFFFAOYSA-N
MW321.88 g/mol
LogP3.99
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine

N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine (PubChem CID 81248839) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine
PubChem CID81248839
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine
SMILESCc1cc(N(C)Cc2ccc(Cl)s2)c(CNC2CC2)cn1
InChIInChI=1S/C16H20ClN3S/c1-11-7-15(12(8-18-11)9-19-13-3-4-13)20(2)10-14-5-6-16(17)21-14/h5-8,13,19H,3-4,9-10H2,1-2H3
InChIKeyQYAAUIDJDYAYNU-UHFFFAOYSA-N
XLogP3.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248386
5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
CID 81250095
5-[(cyclopropylamino)methyl]-N,N-diethyl-2-methylpyridin-4-amine
CID 81248791
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62428902
N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171718
5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine
CID 81250072
5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,2-dimethylpyridin-4-amine
CID 81246951
N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline
CID 107556404
N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54869433
5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81250101
2-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethylaniline
CID 114054620
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine
CID 62430146

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine (CID 81248839) is N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine is Cc1cc(N(C)Cc2ccc(Cl)s2)c(CNC2CC2)cn1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine?
The InChIKey is QYAAUIDJDYAYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-11-7-15(12(8-18-11)9-19-13-3-4-13)20(2)10-14-5-6-16(17)21-14/h5-8,13,19H,3-4,9-10H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine?
N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine has a molecular weight of 321.88 g/mol, XLogP of 3.99, 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]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine is sourced from PubChem (CID 81248839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).