4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide

C19H22Cl2N4O3 — CID 170622636

IUPAC4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide
SMILESCc1ccc(NC(=O)C2CCC(Oc3ncc(Cl)cc3Cl)CC2)cn1.NC=O
InChIInChI=1S/C18H19Cl2N3O2.CH3NO/c1-11-2-5-14(10-21-11)23-17(24)12-3-6-15(7-4-12)25-18-16(20)8-13(19)9-22-18;2-1-3/h2,5,8-10,12,15H,3-4,6-7H2,1H3,(H,23,24);1H,(H2,2,3)
InChIKeyFEVIXMTUUKTSPQ-UHFFFAOYSA-N
MW425.32 g/mol
LogP3.77
Rot. Bonds4

About 4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide

4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide (PubChem CID 170622636) has the molecular formula C19H22Cl2N4O3 and a molecular weight of 425.32 g/mol. Its IUPAC name is 4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide.

Molecular Properties

Compound Name4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide
PubChem CID170622636
Molecular FormulaC19H22Cl2N4O3
Molecular Weight425.32 g/mol
Exact Mass424.11
IUPAC Name4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide
SMILESCc1ccc(NC(=O)C2CCC(Oc3ncc(Cl)cc3Cl)CC2)cn1.NC=O
InChIInChI=1S/C18H19Cl2N3O2.CH3NO/c1-11-2-5-14(10-21-11)23-17(24)12-3-6-15(7-4-12)25-18-16(20)8-13(19)9-22-18;2-1-3/h2,5,8-10,12,15H,3-4,6-7H2,1H3,(H,23,24);1H,(H2,2,3)
InChIKeyFEVIXMTUUKTSPQ-UHFFFAOYSA-N
XLogP3.77
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide?
The IUPAC name of 4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide (CID 170622636) is 4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide.
What is the SMILES notation for 4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide?
The canonical SMILES for 4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide is Cc1ccc(NC(=O)C2CCC(Oc3ncc(Cl)cc3Cl)CC2)cn1.NC=O.
What is the InChIKey of 4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide?
The InChIKey is FEVIXMTUUKTSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2.CH3NO/c1-11-2-5-14(10-21-11)23-17(24)12-3-6-15(7-4-12)25-18-16(20)8-13(19)9-22-18;2-1-3/h2,5,8-10,12,15H,3-4,6-7H2,1H3,(H,23,24);1H,(H2,2,3).
What are the key properties of 4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide?
4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide has a molecular weight of 425.32 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide is sourced from PubChem (CID 170622636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).