4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide

C15H23N3OS — CID 81246016

IUPAC4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide
SMILESCCNc1cc(C)ncc1C(=O)NCC1CCCCS1
InChIInChI=1S/C15H23N3OS/c1-3-16-14-8-11(2)17-10-13(14)15(19)18-9-12-6-4-5-7-20-12/h8,10,12H,3-7,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyROLKFCKAZDPQMA-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.84
Rot. Bonds5

About 4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide

4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 81246016) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide
PubChem CID81246016
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide
SMILESCCNc1cc(C)ncc1C(=O)NCC1CCCCS1
InChIInChI=1S/C15H23N3OS/c1-3-16-14-8-11(2)17-10-13(14)15(19)18-9-12-6-4-5-7-20-12/h8,10,12H,3-7,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyROLKFCKAZDPQMA-UHFFFAOYSA-N
XLogP2.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-6-methyl-N-propylpyridine-3-carboxamide
CID 81236373
4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide
CID 81245780
N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 83114995
N-(2,6-dimethylpiperidin-1-yl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 83015751
4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586222
4-(ethylamino)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 81241331
4-(ethylamino)-6-methyl-N-(3-methylcyclopentyl)pyridine-3-carboxamide
CID 114540554
1-chloro-N-(thian-2-ylmethyl)isoquinoline-4-carboxamide
CID 106766287
6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81234441
4-(ethylamino)-6-methyl-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243267
5-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586079
4-(ethylamino)-6-methyl-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-carboxamide
CID 81245640

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide (CID 81246016) is 4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide is CCNc1cc(C)ncc1C(=O)NCC1CCCCS1.
What is the InChIKey of 4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ROLKFCKAZDPQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-3-16-14-8-11(2)17-10-13(14)15(19)18-9-12-6-4-5-7-20-12/h8,10,12H,3-7,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide?
4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81246016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).