N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine

C17H23N3S — CID 129339021

IUPACN-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
SMILESCc1ccsc1CN(Cc1cccnc1)C[C@H]1CCNC1
InChIInChI=1S/C17H23N3S/c1-14-5-8-21-17(14)13-20(12-16-4-7-19-10-16)11-15-3-2-6-18-9-15/h2-3,5-6,8-9,16,19H,4,7,10-13H2,1H3/t16-/m0/s1
InChIKeyNYEBLOFEKJFUSU-INIZCTEOSA-N
MW301.46 g/mol
LogP3.06
Rot. Bonds6

About N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine

N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine (PubChem CID 129339021) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
PubChem CID129339021
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
SMILESCc1ccsc1CN(Cc1cccnc1)C[C@H]1CCNC1
InChIInChI=1S/C17H23N3S/c1-14-5-8-21-17(14)13-20(12-16-4-7-19-10-16)11-15-3-2-6-18-9-15/h2-3,5-6,8-9,16,19H,4,7,10-13H2,1H3/t16-/m0/s1
InChIKeyNYEBLOFEKJFUSU-INIZCTEOSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 129336675
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 167832608
N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129340589
2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride
CID 128973446
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 129005760
N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129333059
N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 120845039
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210838
N-[(3-chlorothiophen-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 120845031
2-ethyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 128974215
5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129337692
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine (CID 129339021) is N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine is Cc1ccsc1CN(Cc1cccnc1)C[C@H]1CCNC1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine?
The InChIKey is NYEBLOFEKJFUSU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N3S/c1-14-5-8-21-17(14)13-20(12-16-4-7-19-10-16)11-15-3-2-6-18-9-15/h2-3,5-6,8-9,16,19H,4,7,10-13H2,1H3/t16-/m0/s1.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine?
N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine has a molecular weight of 301.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 129339021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).