2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine

C19H21N3S — CID 177202491

IUPAC2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine
SMILESCc1cc2ccc(Nc3ccc(CN4CCCC4)cc3)nc2s1
InChIInChI=1S/C19H21N3S/c1-14-12-16-6-9-18(21-19(16)23-14)20-17-7-4-15(5-8-17)13-22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,20,21)
InChIKeyNDDFUVGQFFIGSH-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.94
Rot. Bonds4

About 2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine

2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine (PubChem CID 177202491) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine
PubChem CID177202491
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine
SMILESCc1cc2ccc(Nc3ccc(CN4CCCC4)cc3)nc2s1
InChIInChI=1S/C19H21N3S/c1-14-12-16-6-9-18(21-19(16)23-14)20-17-7-4-15(5-8-17)13-22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,20,21)
InChIKeyNDDFUVGQFFIGSH-UHFFFAOYSA-N
XLogP4.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine
CID 108776133
4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 108776126
6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine
CID 110377051
ethyl 6-[4-(piperidin-1-ylmethyl)anilino]pyridazine-3-carboxylate
CID 108776111
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one
CID 136683576
2-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridin-6-amine
CID 148987412
1-[(4-methylphenyl)methyl]azepane
CID 3951815
6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
CID 108773215
5-(azepan-1-ylmethyl)-N-methylpyridin-2-amine
CID 62182145
N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 17430718
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine?
The IUPAC name of 2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine (CID 177202491) is 2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine.
What is the SMILES notation for 2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine?
The canonical SMILES for 2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine is Cc1cc2ccc(Nc3ccc(CN4CCCC4)cc3)nc2s1.
What is the InChIKey of 2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine?
The InChIKey is NDDFUVGQFFIGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-14-12-16-6-9-18(21-19(16)23-14)20-17-7-4-15(5-8-17)13-22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,20,21).
What are the key properties of 2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine?
2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine has a molecular weight of 323.47 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine is sourced from PubChem (CID 177202491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).