N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride

C14H19Cl2N5S — CID 129005760

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride
SMILESCl.Clc1snnc1CN(Cc1cccnc1)CC1CCNC1
InChIInChI=1S/C14H18ClN5S.ClH/c15-14-13(18-19-21-14)10-20(9-12-3-5-17-7-12)8-11-2-1-4-16-6-11;/h1-2,4,6,12,17H,3,5,7-10H2;1H
InChIKeyUUWFDMFVGVPDSM-UHFFFAOYSA-N
MW360.31 g/mol
LogP2.62
Rot. Bonds6

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride

N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride (PubChem CID 129005760) has the molecular formula C14H19Cl2N5S and a molecular weight of 360.31 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride
PubChem CID129005760
Molecular FormulaC14H19Cl2N5S
Molecular Weight360.31 g/mol
Exact Mass359.07
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride
SMILESCl.Clc1snnc1CN(Cc1cccnc1)CC1CCNC1
InChIInChI=1S/C14H18ClN5S.ClH/c15-14-13(18-19-21-14)10-20(9-12-3-5-17-7-12)8-11-2-1-4-16-6-11;/h1-2,4,6,12,17H,3,5,7-10H2;1H
InChIKeyUUWFDMFVGVPDSM-UHFFFAOYSA-N
XLogP2.62
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride
CID 128973446
N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 129336675
N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129339021
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 128970204
N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129340589
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106638595
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 167832608
N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129333059
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide
CID 129343993
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 129343994
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79714268
2-ethyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 128974215

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride (CID 129005760) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride is Cl.Clc1snnc1CN(Cc1cccnc1)CC1CCNC1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride?
The InChIKey is UUWFDMFVGVPDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5S.ClH/c15-14-13(18-19-21-14)10-20(9-12-3-5-17-7-12)8-11-2-1-4-16-6-11;/h1-2,4,6,12,17H,3,5,7-10H2;1H.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride has a molecular weight of 360.31 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 129005760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).