2-chloro-N,4,6-trimethylpyridine-3-carboxamide

C9H11ClN2O — CID 4862019

IUPAC2-chloro-N,4,6-trimethylpyridine-3-carboxamide
SMILESCNC(=O)c1c(C)cc(C)nc1Cl
InChIInChI=1S/C9H11ClN2O/c1-5-4-6(2)12-8(10)7(5)9(13)11-3/h4H,1-3H3,(H,11,13)
InChIKeyYBDZFUFMKZTXSU-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.71
Rot. Bonds1

About 2-chloro-N,4,6-trimethylpyridine-3-carboxamide

2-chloro-N,4,6-trimethylpyridine-3-carboxamide (PubChem CID 4862019) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-chloro-N,4,6-trimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N,4,6-trimethylpyridine-3-carboxamide
PubChem CID4862019
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-chloro-N,4,6-trimethylpyridine-3-carboxamide
SMILESCNC(=O)c1c(C)cc(C)nc1Cl
InChIInChI=1S/C9H11ClN2O/c1-5-4-6(2)12-8(10)7(5)9(13)11-3/h4H,1-3H3,(H,11,13)
InChIKeyYBDZFUFMKZTXSU-UHFFFAOYSA-N
XLogP1.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 597857
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CID 778137
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CID 334855
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CID 5105728
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CID 597845
CID 597845
CID 3956566
CID 3956566
CID 701019
CID 701019
CID 1266530
CID 1266530
CID 1266535
CID 1266535
CID 1266538
CID 1266538
CID 1266539
CID 1266539
CID 3043791
CID 3043791

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,4,6-trimethylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N,4,6-trimethylpyridine-3-carboxamide (CID 4862019) is 2-chloro-N,4,6-trimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N,4,6-trimethylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N,4,6-trimethylpyridine-3-carboxamide is CNC(=O)c1c(C)cc(C)nc1Cl.
What is the InChIKey of 2-chloro-N,4,6-trimethylpyridine-3-carboxamide?
The InChIKey is YBDZFUFMKZTXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-5-4-6(2)12-8(10)7(5)9(13)11-3/h4H,1-3H3,(H,11,13).
What are the key properties of 2-chloro-N,4,6-trimethylpyridine-3-carboxamide?
2-chloro-N,4,6-trimethylpyridine-3-carboxamide has a molecular weight of 198.65 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,4,6-trimethylpyridine-3-carboxamide is sourced from PubChem (CID 4862019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).