N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide

C15H19N3OS — CID 81242851

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NC(C)c1cc(C)sc1C
InChIInChI=1S/C15H19N3OS/c1-9-7-12(11(3)20-9)10(2)18-15(19)13-8-17-6-5-14(13)16-4/h5-8,10H,1-4H3,(H,16,17)(H,18,19)
InChIKeyOAODHCCQHSZRMP-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.29
Rot. Bonds4

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81242851) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide
PubChem CID81242851
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NC(C)c1cc(C)sc1C
InChIInChI=1S/C15H19N3OS/c1-9-7-12(11(3)20-9)10(2)18-15(19)13-8-17-6-5-14(13)16-4/h5-8,10H,1-4H3,(H,16,17)(H,18,19)
InChIKeyOAODHCCQHSZRMP-UHFFFAOYSA-N
XLogP3.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide
CID 95932132
5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid
CID 146143160
4-(methylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 81236792
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 47168017
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-fluoropyridine-3-carboxamide
CID 103891941
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 60967175
6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide
CID 62073045
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide
CID 104741138
N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide
CID 82949883
N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide
CID 105068061
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245145

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide (CID 81242851) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)NC(C)c1cc(C)sc1C.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is OAODHCCQHSZRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-7-12(11(3)20-9)10(2)18-15(19)13-8-17-6-5-14(13)16-4/h5-8,10H,1-4H3,(H,16,17)(H,18,19).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81242851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).