6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide

C14H19ClN2O — CID 79359056

IUPAC6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide
SMILESCC1(C)C(CNC(=O)c2ccc(Cl)nc2)C1(C)C
InChIInChI=1S/C14H19ClN2O/c1-13(2)10(14(13,3)4)8-17-12(18)9-5-6-11(15)16-7-9/h5-7,10H,8H2,1-4H3,(H,17,18)
InChIKeyZVICTDJAOOYADR-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.15
Rot. Bonds3

About 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide

6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide (PubChem CID 79359056) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide
PubChem CID79359056
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide
SMILESCC1(C)C(CNC(=O)c2ccc(Cl)nc2)C1(C)C
InChIInChI=1S/C14H19ClN2O/c1-13(2)10(14(13,3)4)8-17-12(18)9-5-6-11(15)16-7-9/h5-7,10H,8H2,1-4H3,(H,17,18)
InChIKeyZVICTDJAOOYADR-UHFFFAOYSA-N
XLogP3.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.15
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

6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 47298591
4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride
CID 79360136
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide
CID 79357896
6-chloro-N-(cyanomethyl)pyridine-3-carboxamide
CID 61248726
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115591200
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide
CID 54908916
6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide
CID 66169235
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629337
6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115627725

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide (CID 79359056) is 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide is CC1(C)C(CNC(=O)c2ccc(Cl)nc2)C1(C)C.
What is the InChIKey of 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide?
The InChIKey is ZVICTDJAOOYADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-13(2)10(14(13,3)4)8-17-12(18)9-5-6-11(15)16-7-9/h5-7,10H,8H2,1-4H3,(H,17,18).
What are the key properties of 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide?
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 79359056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).