5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine

C16H20ClN3S — CID 62892730

IUPAC5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C16H20ClN3S/c1-2-18-16-6-5-14(17)15(19-16)10-20(13-3-4-13)9-12-7-8-21-11-12/h5-8,11,13H,2-4,9-10H2,1H3,(H,18,19)
InChIKeyPLHHHKYHIDRBRC-UHFFFAOYSA-N
MW321.88 g/mol
LogP4.39
Rot. Bonds7

About 5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine

5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine (PubChem CID 62892730) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine
PubChem CID62892730
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C16H20ClN3S/c1-2-18-16-6-5-14(17)15(19-16)10-20(13-3-4-13)9-12-7-8-21-11-12/h5-8,11,13H,2-4,9-10H2,1H3,(H,18,19)
InChIKeyPLHHHKYHIDRBRC-UHFFFAOYSA-N
XLogP4.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62890967
N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61434645
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 80609529
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 107556382
5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606197
5-chloro-6-[[cyclopropyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62891819
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
5-chloro-6-[(dipropylamino)methyl]-N-ethylpyridin-2-amine
CID 62891121
N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 106906235
6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80938379
N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62470809
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine (CID 62892730) is 5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine is CCNc1ccc(Cl)c(CN(Cc2ccsc2)C2CC2)n1.
What is the InChIKey of 5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine?
The InChIKey is PLHHHKYHIDRBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-2-18-16-6-5-14(17)15(19-16)10-20(13-3-4-13)9-12-7-8-21-11-12/h5-8,11,13H,2-4,9-10H2,1H3,(H,18,19).
What are the key properties of 5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine?
5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine has a molecular weight of 321.88 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 62892730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).