3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide

C14H20Cl2N2O — CID 60748160

IUPAC3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-9(2)7-18(8-10(3)4)14(19)13-11(15)5-6-12(16)17-13/h5-6,9-10H,7-8H2,1-4H3
InChIKeyJJRXJUJNMCSYNM-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.14
Rot. Bonds5

About 3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide

3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 60748160) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
PubChem CID60748160
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-9(2)7-18(8-10(3)4)14(19)13-11(15)5-6-12(16)17-13/h5-6,9-10H,7-8H2,1-4H3
InChIKeyJJRXJUJNMCSYNM-UHFFFAOYSA-N
XLogP4.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-3-chloro-N-ethyl-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62153910
2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 113228634
6-amino-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62161041
5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62015370
3,6-dichloro-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 78970836
N-butyl-3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60742726
3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide
CID 95034090
3,6-dichloropyridine-2-carboxylic acid;propan-2-amine
CID 174671655
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776
4-[(3,6-dichloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 114037038
3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 60718086
3,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 60736835

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide (CID 60748160) is 3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide is CC(C)CN(CC(C)C)C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is JJRXJUJNMCSYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-9(2)7-18(8-10(3)4)14(19)13-11(15)5-6-12(16)17-13/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide?
3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 60748160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).