2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide

C13H14ClN3OS — CID 62186333

IUPAC2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(N)nc(Cl)c2)s1
InChIInChI=1S/C13H14ClN3OS/c1-7-3-4-10(19-7)8(2)16-13(18)9-5-11(14)17-12(15)6-9/h3-6,8H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyDVXNYHHLNDOKAB-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.18
Rot. Bonds3

About 2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide

2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 62186333) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID62186333
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(N)nc(Cl)c2)s1
InChIInChI=1S/C13H14ClN3OS/c1-7-3-4-10(19-7)8(2)16-13(18)9-5-11(14)17-12(15)6-9/h3-6,8H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyDVXNYHHLNDOKAB-UHFFFAOYSA-N
XLogP3.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide (CID 62186333) is 2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide is Cc1ccc(C(C)NC(=O)c2cc(N)nc(Cl)c2)s1.
What is the InChIKey of 2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is DVXNYHHLNDOKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-7-3-4-10(19-7)8(2)16-13(18)9-5-11(14)17-12(15)6-9/h3-6,8H,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide?
2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 62186333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).