6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide

C14H21ClN2O — CID 60746433

IUPAC6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCCCCCN(C(=O)c1ccc(Cl)nc1)C(C)C
InChIInChI=1S/C14H21ClN2O/c1-4-5-6-9-17(11(2)3)14(18)12-7-8-13(15)16-10-12/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyLVSXBNJMGOSKNN-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.78
Rot. Bonds6

About 6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide

6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 60746433) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID60746433
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCCCCCN(C(=O)c1ccc(Cl)nc1)C(C)C
InChIInChI=1S/C14H21ClN2O/c1-4-5-6-9-17(11(2)3)14(18)12-7-8-13(15)16-10-12/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyLVSXBNJMGOSKNN-UHFFFAOYSA-N
XLogP3.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.78
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

5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 60746429
N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
CID 43274567
3-chloro-4-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 55001893
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871
4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119723192
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119289264
3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 114019948
5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 63859266
N-(3-hydroxypropyl)-N-propan-2-yl-6-(propylamino)pyridine-3-carboxamide
CID 62177310
3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide
CID 55185882

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide (CID 60746433) is 6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide is CCCCCN(C(=O)c1ccc(Cl)nc1)C(C)C.
What is the InChIKey of 6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is LVSXBNJMGOSKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-5-6-9-17(11(2)3)14(18)12-7-8-13(15)16-10-12/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide?
6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 268.79 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 60746433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).