2-(1-thieno[3,2-b]pyridin-6-ylethylamino)cyclopentane-1-carbonitrile

C15H17N3S — CID 64830801

IUPAC2-(1-thieno[3,2-b]pyridin-6-ylethylamino)cyclopentane-1-carbonitrile
SMILESCC(NC1CCCC1C#N)c1cnc2ccsc2c1
InChIInChI=1S/C15H17N3S/c1-10(18-13-4-2-3-11(13)8-16)12-7-15-14(17-9-12)5-6-19-15/h5-7,9-11,13,18H,2-4H2,1H3
InChIKeyFDYUTVXUWHKBAS-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.64
Rot. Bonds3

About 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)cyclopentane-1-carbonitrile

2-(1-thieno[3,2-b]pyridin-6-ylethylamino)cyclopentane-1-carbonitrile (PubChem CID 64830801) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(1-thieno[3,2-b]pyridin-6-ylethylamino)cyclopentane-1-carbonitrile
PubChem CID64830801
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-(1-thieno[3,2-b]pyridin-6-ylethylamino)cyclopentane-1-carbonitrile
SMILESCC(NC1CCCC1C#N)c1cnc2ccsc2c1
InChIInChI=1S/C15H17N3S/c1-10(18-13-4-2-3-11(13)8-16)12-7-15-14(17-9-12)5-6-19-15/h5-7,9-11,13,18H,2-4H2,1H3
InChIKeyFDYUTVXUWHKBAS-UHFFFAOYSA-N
XLogP3.64
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(-)-(R)-N-methyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 46884062
Thieno(3,2-b)pyridine-6-carbonitrile
CID 13939472
(3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine
CID 118725538
(Z)-3-pyridin-3-yl-2-(2-thiophen-3-yl-1H-indol-3-yl)prop-2-enenitrile
CID 77105620
6-(2,2'-Bithiophen-5-YL)nicotinonitrile
CID 54590528
7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine
CID 164631337
US9676701, 56 5-(5-((trans)-2-aminocyclopropyl)pyridin-2-yl)thiophene-2-carbonitrile hydrochloride
CID 56654363
1-[6-(Thiophen-3-yl)pyridin-3-yl]methanamine
CID 21362590
Thieno[3,2-b]pyridine-7-carbonitrile
CID 66855463
4-(Pyridin-3-YL)-4,5,6,7-tetrahydrothieno[3,2-C]pyridine
CID 71741580
3-methyl-1-pyridin-2-yl-N-(thiophen-3-ylmethyl)butan-1-amine
CID 75382752
3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 75427522

Frequently Asked Questions

What is the IUPAC name of 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)cyclopentane-1-carbonitrile (CID 64830801) is 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)cyclopentane-1-carbonitrile is CC(NC1CCCC1C#N)c1cnc2ccsc2c1.
What is the InChIKey of 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)cyclopentane-1-carbonitrile?
The InChIKey is FDYUTVXUWHKBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-10(18-13-4-2-3-11(13)8-16)12-7-15-14(17-9-12)5-6-19-15/h5-7,9-11,13,18H,2-4H2,1H3.
What are the key properties of 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)cyclopentane-1-carbonitrile?
2-(1-thieno[3,2-b]pyridin-6-ylethylamino)cyclopentane-1-carbonitrile has a molecular weight of 271.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thieno[3,2-b]pyridin-6-ylethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 64830801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).