5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide

C20H20ClN5O4 — CID 155585148

IUPAC5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide
SMILESCC1(C)OCC(CNC(=O)c2ccc(Nc3ncc(-c4ccc(Cl)cn4)o3)cn2)O1
InChIInChI=1S/C20H20ClN5O4/c1-20(2)28-11-14(30-20)9-24-18(27)16-6-4-13(8-23-16)26-19-25-10-17(29-19)15-5-3-12(21)7-22-15/h3-8,10,14H,9,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyVMDLCSQINDKFPU-UHFFFAOYSA-N
MW429.86 g/mol
LogP3.41
Rot. Bonds6

About 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide

5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 155585148) has the molecular formula C20H20ClN5O4 and a molecular weight of 429.86 g/mol. Its IUPAC name is 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide
PubChem CID155585148
Molecular FormulaC20H20ClN5O4
Molecular Weight429.86 g/mol
Exact Mass429.12
IUPAC Name5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide
SMILESCC1(C)OCC(CNC(=O)c2ccc(Nc3ncc(-c4ccc(Cl)cn4)o3)cn2)O1
InChIInChI=1S/C20H20ClN5O4/c1-20(2)28-11-14(30-20)9-24-18(27)16-6-4-13(8-23-16)26-19-25-10-17(29-19)15-5-3-12(21)7-22-15/h3-8,10,14H,9,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyVMDLCSQINDKFPU-UHFFFAOYSA-N
XLogP3.41
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide (CID 155585148) is 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide is CC1(C)OCC(CNC(=O)c2ccc(Nc3ncc(-c4ccc(Cl)cn4)o3)cn2)O1.
What is the InChIKey of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is VMDLCSQINDKFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O4/c1-20(2)28-11-14(30-20)9-24-18(27)16-6-4-13(8-23-16)26-19-25-10-17(29-19)15-5-3-12(21)7-22-15/h3-8,10,14H,9,11H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide?
5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 429.86 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 155585148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).