N-[cyano-(3-ethynyl-7-methylthieno[2,3-c]pyridin-4-yl)methyl]formamide

C13H9N3OS — CID 167522038

IUPACN-[cyano-(3-ethynyl-7-methylthieno[2,3-c]pyridin-4-yl)methyl]formamide
SMILESC#Cc1csc2c(C)ncc(C(C#N)NC=O)c12
InChIInChI=1S/C13H9N3OS/c1-3-9-6-18-13-8(2)15-5-10(12(9)13)11(4-14)16-7-17/h1,5-7,11H,2H3,(H,16,17)
InChIKeyRWKFKPILYWTKDN-UHFFFAOYSA-N
MW255.30 g/mol
LogP1.90
Rot. Bonds3

About N-[cyano-(3-ethynyl-7-methylthieno[2,3-c]pyridin-4-yl)methyl]formamide

N-[cyano-(3-ethynyl-7-methylthieno[2,3-c]pyridin-4-yl)methyl]formamide (PubChem CID 167522038) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is N-[cyano-(3-ethynyl-7-methylthieno[2,3-c]pyridin-4-yl)methyl]formamide.

Molecular Properties

Compound NameN-[cyano-(3-ethynyl-7-methylthieno[2,3-c]pyridin-4-yl)methyl]formamide
PubChem CID167522038
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC NameN-[cyano-(3-ethynyl-7-methylthieno[2,3-c]pyridin-4-yl)methyl]formamide
SMILESC#Cc1csc2c(C)ncc(C(C#N)NC=O)c12
InChIInChI=1S/C13H9N3OS/c1-3-9-6-18-13-8(2)15-5-10(12(9)13)11(4-14)16-7-17/h1,5-7,11H,2H3,(H,16,17)
InChIKeyRWKFKPILYWTKDN-UHFFFAOYSA-N
XLogP1.90
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[cyano-(3-ethynylthieno[2,3-c]pyridin-4-yl)methyl]formamide;ethane;propane;1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethanone
CID 167523374
N-[cyano-[3-(trifluoromethyl)thieno[2,3-c]pyridin-4-yl]methyl]formamide
CID 167521716
N-[cyano-(5-hydroxyisoquinolin-4-yl)methyl]formamide
CID 167522607
N-[cyano-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]formamide
CID 167522516
N-[cyano-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]imidazol-4-yl]methyl]formamide
CID 167522304
2-[5-[cyano(formamido)methyl]-3-methoxy-2,7-naphthyridin-4-yl]ethynyl thiohypoiodite
CID 167523010
N-[(3-chloro-1-ethylpyrrolo[3,2-c]pyridin-7-yl)-cyanomethyl]formamide
CID 167523108
N-[cyano(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methyl]formamide
CID 167521744
N-[(R)-cyano(phenyl)methyl]formamide
CID 124506791
5-ethynyl-N,6-dimethylpyridin-3-amine
CID 138985704
N-[cyano-(5-ethynyl-6-methoxy-2,7-naphthyridin-4-yl)methyl]formamide;(3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxybutan-1-one;2,2,2-trifluoroacetamide
CID 167522175
N-[cyano-(5-ethynylisoquinolin-4-yl)methyl]formamide;(3R)-3-(1-cyclopropylcyclopropyl)oxy-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-1-one;2,2,2-trifluoroacetamide
CID 167522113

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(3-ethynyl-7-methylthieno[2,3-c]pyridin-4-yl)methyl]formamide?
The IUPAC name of N-[cyano-(3-ethynyl-7-methylthieno[2,3-c]pyridin-4-yl)methyl]formamide (CID 167522038) is N-[cyano-(3-ethynyl-7-methylthieno[2,3-c]pyridin-4-yl)methyl]formamide.
What is the SMILES notation for N-[cyano-(3-ethynyl-7-methylthieno[2,3-c]pyridin-4-yl)methyl]formamide?
The canonical SMILES for N-[cyano-(3-ethynyl-7-methylthieno[2,3-c]pyridin-4-yl)methyl]formamide is C#Cc1csc2c(C)ncc(C(C#N)NC=O)c12.
What is the InChIKey of N-[cyano-(3-ethynyl-7-methylthieno[2,3-c]pyridin-4-yl)methyl]formamide?
The InChIKey is RWKFKPILYWTKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c1-3-9-6-18-13-8(2)15-5-10(12(9)13)11(4-14)16-7-17/h1,5-7,11H,2H3,(H,16,17).
What are the key properties of N-[cyano-(3-ethynyl-7-methylthieno[2,3-c]pyridin-4-yl)methyl]formamide?
N-[cyano-(3-ethynyl-7-methylthieno[2,3-c]pyridin-4-yl)methyl]formamide has a molecular weight of 255.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(3-ethynyl-7-methylthieno[2,3-c]pyridin-4-yl)methyl]formamide is sourced from PubChem (CID 167522038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).