4-cyclopropyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

C21H23Cl2N3O2 — CID 11154357

IUPAC4-cyclopropyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)cc1C1CC1
InChIInChI=1S/C21H23Cl2N3O2/c22-15-3-4-19(18(23)9-15)26-20-10-16(14-1-2-14)17(12-24-20)21(27)25-11-13-5-7-28-8-6-13/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,24,26)(H,25,27)
InChIKeyRSZNJMNZSVCMKK-UHFFFAOYSA-N
MW420.34 g/mol
LogP5.17
Rot. Bonds6

About 4-cyclopropyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

4-cyclopropyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 11154357) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 4-cyclopropyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
PubChem CID11154357
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC Name4-cyclopropyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)cc1C1CC1
InChIInChI=1S/C21H23Cl2N3O2/c22-15-3-4-19(18(23)9-15)26-20-10-16(14-1-2-14)17(12-24-20)21(27)25-11-13-5-7-28-8-6-13/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,24,26)(H,25,27)
InChIKeyRSZNJMNZSVCMKK-UHFFFAOYSA-N
XLogP5.17
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

GW842166
CID 10253143
6-(4-chlorophenylamino)-N,N-diethylnicotinamide
CID 23725212
2-[[5-Chloranyl-2-(Oxan-4-Ylamino)pyridin-4-Yl]amino]-N-Methyl-Benzamide
CID 91758407
2-(2,6-Dichlorophenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid (tetrahydro-pyran-4-ylmethyl)amide
CID 10253141
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 10290951
6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 10385575
6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 11199737
4-cyclopropyl-6-(3,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 11235490
4-cyclopentyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 11259422
4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 11327582
6-(3-chloroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 11349671
6-(3-bromophenylamino)-4-cyclopropyl-N-((tetrahydro-2H-pyran-4-yl)methyl)nicotinamide
CID 11430331

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-cyclopropyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (CID 11154357) is 4-cyclopropyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-cyclopropyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-cyclopropyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)cc1C1CC1.
What is the InChIKey of 4-cyclopropyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is RSZNJMNZSVCMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2/c22-15-3-4-19(18(23)9-15)26-20-10-16(14-1-2-14)17(12-24-20)21(27)25-11-13-5-7-28-8-6-13/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,24,26)(H,25,27).
What are the key properties of 4-cyclopropyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
4-cyclopropyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 420.34 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 11154357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).