2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide

C17H17Cl2N3O2 — CID 109167534

IUPAC2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1ccnc(Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c18-13-4-1-5-14(19)16(13)22-15-9-11(6-7-20-15)17(23)21-10-12-3-2-8-24-12/h1,4-7,9,12H,2-3,8,10H2,(H,20,22)(H,21,23)
InChIKeyOIKYDWZWTWXYMX-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.04
Rot. Bonds5

About 2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide

2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 109167534) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID109167534
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1ccnc(Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c18-13-4-1-5-14(19)16(13)22-15-9-11(6-7-20-15)17(23)21-10-12-3-2-8-24-12/h1,4-7,9,12H,2-3,8,10H2,(H,20,22)(H,21,23)
InChIKeyOIKYDWZWTWXYMX-UHFFFAOYSA-N
XLogP4.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083381
5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228896
2-hydrazinyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62237538
2-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252426
2-(2-chloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300970
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 55014520
N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167563
4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083336
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083250
4-N-(2,6-diethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083329

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (CID 109167534) is 2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is O=C(NCC1CCCO1)c1ccnc(Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is OIKYDWZWTWXYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c18-13-4-1-5-14(19)16(13)22-15-9-11(6-7-20-15)17(23)21-10-12-3-2-8-24-12/h1,4-7,9,12H,2-3,8,10H2,(H,20,22)(H,21,23).
What are the key properties of 2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 366.25 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109167534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).