N-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride

C17H23Cl2N3S — CID 67656933

IUPACN-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride
SMILESCC(CN1CC=C(c2cccs2)CC1)Nc1ccccn1.Cl.Cl
InChIInChI=1S/C17H21N3S.2ClH/c1-14(19-17-6-2-3-9-18-17)13-20-10-7-15(8-11-20)16-5-4-12-21-16;;/h2-7,9,12,14H,8,10-11,13H2,1H3,(H,18,19);2*1H
InChIKeyYHFILEVSRXDKAX-UHFFFAOYSA-N
MW372.37 g/mol
LogP4.58
Rot. Bonds5

About N-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride

N-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride (PubChem CID 67656933) has the molecular formula C17H23Cl2N3S and a molecular weight of 372.37 g/mol. Its IUPAC name is N-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride
PubChem CID67656933
Molecular FormulaC17H23Cl2N3S
Molecular Weight372.37 g/mol
Exact Mass371.10
IUPAC NameN-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride
SMILESCC(CN1CC=C(c2cccs2)CC1)Nc1ccccn1.Cl.Cl
InChIInChI=1S/C17H21N3S.2ClH/c1-14(19-17-6-2-3-9-18-17)13-20-10-7-15(8-11-20)16-5-4-12-21-16;;/h2-7,9,12,14H,8,10-11,13H2,1H3,(H,18,19);2*1H
InChIKeyYHFILEVSRXDKAX-UHFFFAOYSA-N
XLogP4.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride?
The IUPAC name of N-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride (CID 67656933) is N-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride.
What is the SMILES notation for N-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride?
The canonical SMILES for N-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride is CC(CN1CC=C(c2cccs2)CC1)Nc1ccccn1.Cl.Cl.
What is the InChIKey of N-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride?
The InChIKey is YHFILEVSRXDKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S.2ClH/c1-14(19-17-6-2-3-9-18-17)13-20-10-7-15(8-11-20)16-5-4-12-21-16;;/h2-7,9,12,14H,8,10-11,13H2,1H3,(H,18,19);2*1H.
What are the key properties of N-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride?
N-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride has a molecular weight of 372.37 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 67656933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).