2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide

C12H12ClN3OS — CID 78918299

IUPAC2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccsc1CNC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C12H12ClN3OS/c1-7-2-3-18-9(7)6-15-12(17)8-4-10(13)16-11(14)5-8/h2-5H,6H2,1H3,(H2,14,16)(H,15,17)
InChIKeyNQTXSSDQGDVVCA-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.62
Rot. Bonds3

About 2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide

2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 78918299) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
PubChem CID78918299
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccsc1CNC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C12H12ClN3OS/c1-7-2-3-18-9(7)6-15-12(17)8-4-10(13)16-11(14)5-8/h2-5H,6H2,1H3,(H2,14,16)(H,15,17)
InChIKeyNQTXSSDQGDVVCA-UHFFFAOYSA-N
XLogP2.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.62
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

5-chloro-N-pyridin-2-ylthiophene-2-carboxamide
CID 1243996
N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide
CID 1246828
N-(4-methylpyridin-2-yl)thiophene-2-carboxamide
CID 685128
N-[(5-chloropyridin-2-yl)carbamothioyl]thiophene-2-carboxamide
CID 739004
5-chloro-N-(4-methylpyridin-2-yl)thiophene-2-carboxamide
CID 2147584
N-(5-chloropyridin-2-yl)thiophene-2-carboxamide
CID 573734
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide
CID 47036710
N-(3-chloropyridin-2-yl)thiophene-2-carboxamide
CID 841529
N-(4-ethyl-2-pyridinyl)thiophene-2-carboxamide
CID 2811863
5-Chloro-N~2~-{[6-(1-pyrrolidinyl)-3-pyridyl]methyl}-2-thiophenecarboxamide
CID 38527813
5-Chloro-N~2~-[(6-piperidino-3-pyridyl)methyl]-2-thiophenecarboxamide
CID 71842571
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-methylthiophene-2-carboxamide
CID 40066918

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide (CID 78918299) is 2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide is Cc1ccsc1CNC(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is NQTXSSDQGDVVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-7-2-3-18-9(7)6-15-12(17)8-4-10(13)16-11(14)5-8/h2-5H,6H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 281.77 g/mol, XLogP of 2.62, 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-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 78918299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).