6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide

C20H24ClN3O2 — CID 44570122

IUPAC6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NC1CCOCC1
InChIInChI=1S/C20H24ClN3O2/c1-13(2)17-11-19(23-16-5-3-4-14(21)10-16)22-12-18(17)20(25)24-15-6-8-26-9-7-15/h3-5,10-13,15H,6-9H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyGTWAEQRGBKIVJZ-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.51
Rot. Bonds5

About 6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide

6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 44570122) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide
PubChem CID44570122
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NC1CCOCC1
InChIInChI=1S/C20H24ClN3O2/c1-13(2)17-11-19(23-16-5-3-4-14(21)10-16)22-12-18(17)20(25)24-15-6-8-26-9-7-15/h3-5,10-13,15H,6-9H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyGTWAEQRGBKIVJZ-UHFFFAOYSA-N
XLogP4.51
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide (CID 44570122) is 6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide is CC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NC1CCOCC1.
What is the InChIKey of 6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide?
The InChIKey is GTWAEQRGBKIVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-13(2)17-11-19(23-16-5-3-4-14(21)10-16)22-12-18(17)20(25)24-15-6-8-26-9-7-15/h3-5,10-13,15H,6-9H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide?
6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 44570122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).