5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide

C14H20Cl2N2O — CID 60746429

IUPAC5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCCCCCN(C(=O)c1cnc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C14H20Cl2N2O/c1-4-5-6-7-18(10(2)3)14(19)11-8-12(15)13(16)17-9-11/h8-10H,4-7H2,1-3H3
InChIKeyOAXHKBILAPHQKN-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.43
Rot. Bonds6

About 5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide

5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 60746429) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID60746429
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCCCCCN(C(=O)c1cnc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C14H20Cl2N2O/c1-4-5-6-7-18(10(2)3)14(19)11-8-12(15)13(16)17-9-11/h8-10H,4-7H2,1-3H3
InChIKeyOAXHKBILAPHQKN-UHFFFAOYSA-N
XLogP4.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 60746433
N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide
CID 43274566
3-chloro-4-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 55001893
5,6-dichloro-N-(cyanomethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 103758627
5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 63859266
5-chloro-6-hydrazinyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 62242464
3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 114019948
3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide
CID 55185882
5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60742567
5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243474
2-chloro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
CID 107026400
2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 106501622

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide (CID 60746429) is 5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide is CCCCCN(C(=O)c1cnc(Cl)c(Cl)c1)C(C)C.
What is the InChIKey of 5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is OAXHKBILAPHQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-4-5-6-7-18(10(2)3)14(19)11-8-12(15)13(16)17-9-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide?
5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 60746429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).