4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide

C14H17N3OS — CID 61114386

IUPAC4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)C(C)c2ccncc2)cc1N
InChIInChI=1S/C14H17N3OS/c1-9(11-4-6-16-7-5-11)17(3)14(18)13-8-12(15)10(2)19-13/h4-9H,15H2,1-3H3
InChIKeyPPYOCFXBWSCEHQ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.87
Rot. Bonds3

About 4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide

4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide (PubChem CID 61114386) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide
PubChem CID61114386
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)C(C)c2ccncc2)cc1N
InChIInChI=1S/C14H17N3OS/c1-9(11-4-6-16-7-5-11)17(3)14(18)13-8-12(15)10(2)19-13/h4-9H,15H2,1-3H3
InChIKeyPPYOCFXBWSCEHQ-UHFFFAOYSA-N
XLogP2.87
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 62792415
4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide
CID 61115899
3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 61116655
4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide
CID 61106447
4-amino-5-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 61089790
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
CID 115745848
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 65463841
3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 97326605
N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998577

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide (CID 61114386) is 4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide is Cc1sc(C(=O)N(C)C(C)c2ccncc2)cc1N.
What is the InChIKey of 4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide?
The InChIKey is PPYOCFXBWSCEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(11-4-6-16-7-5-11)17(3)14(18)13-8-12(15)10(2)19-13/h4-9H,15H2,1-3H3.
What are the key properties of 4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide?
4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61114386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).