5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide

C22H24ClN5O3 — CID 137036746

IUPAC5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
SMILES[N-]=[N+]=Nc1ccc(-c2cc(C(=O)NC3CCCCC3O)cnc2OCC2CC2)cc1Cl
InChIInChI=1S/C22H24ClN5O3/c23-17-10-14(7-8-18(17)27-28-24)16-9-15(11-25-22(16)31-12-13-5-6-13)21(30)26-19-3-1-2-4-20(19)29/h7-11,13,19-20,29H,1-6,12H2,(H,26,30)
InChIKeyFEFUFPCWYWSFIN-UHFFFAOYSA-N
MW441.92 g/mol
LogP5.17
Rot. Bonds7

About 5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide

5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide (PubChem CID 137036746) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is 5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
PubChem CID137036746
Molecular FormulaC22H24ClN5O3
Molecular Weight441.92 g/mol
Exact Mass441.16
IUPAC Name5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
SMILES[N-]=[N+]=Nc1ccc(-c2cc(C(=O)NC3CCCCC3O)cnc2OCC2CC2)cc1Cl
InChIInChI=1S/C22H24ClN5O3/c23-17-10-14(7-8-18(17)27-28-24)16-9-15(11-25-22(16)31-12-13-5-6-13)21(30)26-19-3-1-2-4-20(19)29/h7-11,13,19-20,29H,1-6,12H2,(H,26,30)
InChIKeyFEFUFPCWYWSFIN-UHFFFAOYSA-N
XLogP5.17
TPSA120.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.92
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide (CID 137036746) is 5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide is [N-]=[N+]=Nc1ccc(-c2cc(C(=O)NC3CCCCC3O)cnc2OCC2CC2)cc1Cl.
What is the InChIKey of 5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide?
The InChIKey is FEFUFPCWYWSFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3/c23-17-10-14(7-8-18(17)27-28-24)16-9-15(11-25-22(16)31-12-13-5-6-13)21(30)26-19-3-1-2-4-20(19)29/h7-11,13,19-20,29H,1-6,12H2,(H,26,30).
What are the key properties of 5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide?
5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 137036746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).