4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide

C15H23N3OS — CID 81245780

IUPAC4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NCC1CCCCS1
InChIInChI=1S/C15H23N3OS/c1-2-7-17-14-6-8-16-11-13(14)15(19)18-10-12-5-3-4-9-20-12/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyZINIPESFFKKQJR-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.92
Rot. Bonds6

About 4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide

4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 81245780) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide
PubChem CID81245780
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NCC1CCCCS1
InChIInChI=1S/C15H23N3OS/c1-2-7-17-14-6-8-16-11-13(14)15(19)18-10-12-5-3-4-9-20-12/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyZINIPESFFKKQJR-UHFFFAOYSA-N
XLogP2.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 105070782
2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586609
N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238615
5-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586079
4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
CID 81233110
4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586222
N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587
N-(cyclopentylmethyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81236600
4-(thiolan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 81243951
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
4-(ethylamino)-6-methyl-N-(thian-2-ylmethyl)pyridine-3-carboxamide
CID 81246016
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81234637

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide (CID 81245780) is 4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)NCC1CCCCS1.
What is the InChIKey of 4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ZINIPESFFKKQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-2-7-17-14-6-8-16-11-13(14)15(19)18-10-12-5-3-4-9-20-12/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide?
4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81245780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).