N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide

C17H19N5OS — CID 86773779

IUPACN-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCC(CNc2ccccn2)C1
InChIInChI=1S/C17H19N5OS/c18-9-14-5-8-24-17(14)21-16(23)12-22-7-4-13(11-22)10-20-15-3-1-2-6-19-15/h1-3,5-6,8,13H,4,7,10-12H2,(H,19,20)(H,21,23)
InChIKeyIJVNJXWECZLJKB-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.39
Rot. Bonds6

About N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide

N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide (PubChem CID 86773779) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
PubChem CID86773779
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCC(CNc2ccccn2)C1
InChIInChI=1S/C17H19N5OS/c18-9-14-5-8-24-17(14)21-16(23)12-22-7-4-13(11-22)10-20-15-3-1-2-6-19-15/h1-3,5-6,8,13H,4,7,10-12H2,(H,19,20)(H,21,23)
InChIKeyIJVNJXWECZLJKB-UHFFFAOYSA-N
XLogP2.39
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
CID 86773787
N-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95139935
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032930
N-(2-acetamidoethyl)-2-[(3S)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
CID 95156695
N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898672
N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 95144802
N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2241121
methyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742622
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 33112194
N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 86976852
N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide
CID 43162397
5-chloro-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]benzonitrile
CID 133286080

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide (CID 86773779) is N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide is N#Cc1ccsc1NC(=O)CN1CCC(CNc2ccccn2)C1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is IJVNJXWECZLJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c18-9-14-5-8-24-17(14)21-16(23)12-22-7-4-13(11-22)10-20-15-3-1-2-6-19-15/h1-3,5-6,8,13H,4,7,10-12H2,(H,19,20)(H,21,23).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 86773779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).