N-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

C16H21N3OS — CID 104640839

IUPACN-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)N(CC)Cc2cccs2)nc1
InChIInChI=1S/C16H21N3OS/c1-3-9-17-13-7-8-15(18-11-13)16(20)19(4-2)12-14-6-5-10-21-14/h5-8,10-11,17H,3-4,9,12H2,1-2H3
InChIKeyHYUAUOJGDXIOEH-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.63
Rot. Bonds7

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

N-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 104640839) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
PubChem CID104640839
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)N(CC)Cc2cccs2)nc1
InChIInChI=1S/C16H21N3OS/c1-3-9-17-13-7-8-15(18-11-13)16(20)19(4-2)12-14-6-5-10-21-14/h5-8,10-11,17H,3-4,9,12H2,1-2H3
InChIKeyHYUAUOJGDXIOEH-UHFFFAOYSA-N
XLogP3.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (CID 104640839) is N-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is CCCNc1ccc(C(=O)N(CC)Cc2cccs2)nc1.
What is the InChIKey of N-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is HYUAUOJGDXIOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-9-17-13-7-8-15(18-11-13)16(20)19(4-2)12-14-6-5-10-21-14/h5-8,10-11,17H,3-4,9,12H2,1-2H3.
What are the key properties of N-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
N-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104640839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).