N-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide

C15H19N3OS — CID 104640243

IUPACN-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)N(C)Cc2ccsc2)nc1
InChIInChI=1S/C15H19N3OS/c1-3-7-16-13-4-5-14(17-9-13)15(19)18(2)10-12-6-8-20-11-12/h4-6,8-9,11,16H,3,7,10H2,1-2H3
InChIKeyUYCBDKOUTACTBL-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.24
Rot. Bonds6

About N-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide

N-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 104640243) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
PubChem CID104640243
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)N(C)Cc2ccsc2)nc1
InChIInChI=1S/C15H19N3OS/c1-3-7-16-13-4-5-14(17-9-13)15(19)18(2)10-12-6-8-20-11-12/h4-6,8-9,11,16H,3,7,10H2,1-2H3
InChIKeyUYCBDKOUTACTBL-UHFFFAOYSA-N
XLogP3.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide
CID 104641679
N-(2-hydroxy-2-methylpropyl)-N-methyl-5-(propylamino)pyridine-2-carboxamide
CID 104641727
N-methyl-2-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 62169198
5-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 113436174
N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide
CID 109185471
N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104641413
N-benzyl-N-methyl-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109189121
N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide
CID 109189123
N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331
6-amino-N-methyl-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 62155302
3-butyl-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 115574006
N-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104640839

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide (CID 104640243) is N-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide is CCCNc1ccc(C(=O)N(C)Cc2ccsc2)nc1.
What is the InChIKey of N-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is UYCBDKOUTACTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-7-16-13-4-5-14(17-9-13)15(19)18(2)10-12-6-8-20-11-12/h4-6,8-9,11,16H,3,7,10H2,1-2H3.
What are the key properties of N-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide?
N-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104640243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).