2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide

C13H19N3OS — CID 107329704

IUPAC2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCC2(SC)CC2)ccn1
InChIInChI=1S/C13H19N3OS/c1-3-14-11-8-10(4-7-15-11)12(17)16-9-13(18-2)5-6-13/h4,7-8H,3,5-6,9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGZSAJGNPGNACPG-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.14
Rot. Bonds6

About 2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide

2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide (PubChem CID 107329704) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
PubChem CID107329704
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCC2(SC)CC2)ccn1
InChIInChI=1S/C13H19N3OS/c1-3-14-11-8-10(4-7-15-11)12(17)16-9-13(18-2)5-6-13/h4,7-8H,3,5-6,9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGZSAJGNPGNACPG-UHFFFAOYSA-N
XLogP2.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115760555
methyl 2-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-4-carboxylate
CID 114116541
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62176334
N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)pyridine-4-carboxamide
CID 62177284
N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide
CID 83115069
N-cyclopentyl-2-(ethylamino)pyridine-4-carboxamide
CID 62173243
2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
CID 113252013
2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
CID 107271725
5,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-carboxamide
CID 107271693
N,N-diethyl-2-(ethylamino)pyridine-4-carboxamide
CID 62172696
2-(ethylamino)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82734231
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
CID 115492102

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide (CID 107329704) is 2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide is CCNc1cc(C(=O)NCC2(SC)CC2)ccn1.
What is the InChIKey of 2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide?
The InChIKey is GZSAJGNPGNACPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-3-14-11-8-10(4-7-15-11)12(17)16-9-13(18-2)5-6-13/h4,7-8H,3,5-6,9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide?
2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 107329704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).