3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide

C11H11Cl2N3O — CID 95034090

IUPAC3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide
SMILESC[C@@H](CC#N)N(C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2N3O/c1-7(5-6-14)16(2)11(17)10-8(12)3-4-9(13)15-10/h3-4,7H,5H2,1-2H3/t7-/m0/s1
InChIKeyFIAVVWRRHHSQSA-ZETCQYMHSA-N
MW272.13 g/mol
LogP2.76
Rot. Bonds3

About 3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide

3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 95034090) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide
PubChem CID95034090
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide
SMILESC[C@@H](CC#N)N(C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2N3O/c1-7(5-6-14)16(2)11(17)10-8(12)3-4-9(13)15-10/h3-4,7H,5H2,1-2H3/t7-/m0/s1
InChIKeyFIAVVWRRHHSQSA-ZETCQYMHSA-N
XLogP2.76
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63224800
3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 60736835
3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
CID 43420554
3-amino-4-chloro-N-(1-cyanopropan-2-yl)-N-methylbenzamide
CID 63221612
3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 60748160
6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112664231
3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 42923047
4-bromo-3-chloro-N-(1-cyanopropan-2-yl)-N-methylbenzamide
CID 81005730
5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80619823
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776
3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
CID 60693634
3,6-dichloro-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 78970836

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide (CID 95034090) is 3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide is C[C@@H](CC#N)N(C)C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is FIAVVWRRHHSQSA-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-7(5-6-14)16(2)11(17)10-8(12)3-4-9(13)15-10/h3-4,7H,5H2,1-2H3/t7-/m0/s1.
What are the key properties of 3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide?
3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 272.13 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 95034090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).