2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide

C14H20ClN3OS — CID 107298139

IUPAC2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCC2CCSC2)cc(Cl)n1
InChIInChI=1S/C14H20ClN3OS/c1-2-4-16-13-7-11(6-12(15)18-13)14(19)17-8-10-3-5-20-9-10/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyWQKQCFVZARXSBO-UHFFFAOYSA-N
MW313.85 g/mol
LogP3.04
Rot. Bonds6

About 2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide

2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 107298139) has the molecular formula C14H20ClN3OS and a molecular weight of 313.85 g/mol. Its IUPAC name is 2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
PubChem CID107298139
Molecular FormulaC14H20ClN3OS
Molecular Weight313.85 g/mol
Exact Mass313.10
IUPAC Name2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCC2CCSC2)cc(Cl)n1
InChIInChI=1S/C14H20ClN3OS/c1-2-4-16-13-7-11(6-12(15)18-13)14(19)17-8-10-3-5-20-9-10/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyWQKQCFVZARXSBO-UHFFFAOYSA-N
XLogP3.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide
CID 107298173
2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide
CID 62171490
2-chloro-N-(2-methylsulfanylethyl)-6-(propylamino)pyridine-4-carboxamide
CID 63963791
2-chloro-6-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 80586203
2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide
CID 62168778
2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide
CID 104765513
2-ethyl-6-(propylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 103064734
2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 65042532
2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 63245018
2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 113464140
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-amino-6-propan-2-yl-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107298213

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide (CID 107298139) is 2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCC2CCSC2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is WQKQCFVZARXSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3OS/c1-2-4-16-13-7-11(6-12(15)18-13)14(19)17-8-10-3-5-20-9-10/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide?
2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 313.85 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 107298139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).