4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine

C14H16ClN3S — CID 107055267

IUPAC4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESNCc1ccnc(N(Cc2ccsc2)C2CC2)c1Cl
InChIInChI=1S/C14H16ClN3S/c15-13-11(7-16)3-5-17-14(13)18(12-1-2-12)8-10-4-6-19-9-10/h3-6,9,12H,1-2,7-8,16H2
InChIKeyXKIFRGXEYAWQQB-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.42
Rot. Bonds5

About 4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine

4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine (PubChem CID 107055267) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
PubChem CID107055267
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESNCc1ccnc(N(Cc2ccsc2)C2CC2)c1Cl
InChIInChI=1S/C14H16ClN3S/c15-13-11(7-16)3-5-17-14(13)18(12-1-2-12)8-10-4-6-19-9-10/h3-6,9,12H,1-2,7-8,16H2
InChIKeyXKIFRGXEYAWQQB-UHFFFAOYSA-N
XLogP3.42
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107055137
2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclopropylamino]ethanol
CID 107055331
3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 107055806
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729453
N-cyclopropyl-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 56799553
2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
CID 79173041
N-cyclopropyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 107379600
6-chloro-2-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxylic acid
CID 63380172
6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80979010
3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513410
4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325687

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine (CID 107055267) is 4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine is NCc1ccnc(N(Cc2ccsc2)C2CC2)c1Cl.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The InChIKey is XKIFRGXEYAWQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c15-13-11(7-16)3-5-17-14(13)18(12-1-2-12)8-10-4-6-19-9-10/h3-6,9,12H,1-2,7-8,16H2.
What are the key properties of 4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine has a molecular weight of 293.82 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 107055267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).