4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid

C52H52Cl2N10O10 — CID 158107331

IUPAC4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid
SMILESC1CCOC1.CNC(=O)c1cc(Cl)ccn1.CNC(=O)c1cc(Oc2ccc(C#N)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(CN)cc2)ccn1.COC(=O)c1cc(Cl)ccn1.O=C(O)c1ccccn1
InChIInChI=1S/C14H15N3O2.C14H11N3O2.C7H7ClN2O.C7H6ClNO2.C6H5NO2.C4H8O/c2*1-16-14(18)13-8-12(6-7-17-13)19-11-4-2-10(9-15)3-5-11;1-9-7(11)6-4-5(8)2-3-10-6;1-11-7(10)6-4-5(8)2-3-9-6;8-6(9)5-3-1-2-4-7-5;1-2-4-5-3-1/h2-8H,9,15H2,1H3,(H,16,18);2-8H,1H3,(H,16,18);2-4H,1H3,(H,9,11);2-4H,1H3;1-4H,(H,8,9);1-4H2
InChIKeyFPZRDOZMPZUKLW-UHFFFAOYSA-N
MW1047.95 g/mol
LogP7.99
Rot. Bonds10

About 4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid

4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid (PubChem CID 158107331) has the molecular formula C52H52Cl2N10O10 and a molecular weight of 1047.95 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid
PubChem CID158107331
Molecular FormulaC52H52Cl2N10O10
Molecular Weight1047.95 g/mol
Exact Mass1046.32
IUPAC Name4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid
SMILESC1CCOC1.CNC(=O)c1cc(Cl)ccn1.CNC(=O)c1cc(Oc2ccc(C#N)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(CN)cc2)ccn1.COC(=O)c1cc(Cl)ccn1.O=C(O)c1ccccn1
InChIInChI=1S/C14H15N3O2.C14H11N3O2.C7H7ClN2O.C7H6ClNO2.C6H5NO2.C4H8O/c2*1-16-14(18)13-8-12(6-7-17-13)19-11-4-2-10(9-15)3-5-11;1-9-7(11)6-4-5(8)2-3-10-6;1-11-7(10)6-4-5(8)2-3-9-6;8-6(9)5-3-1-2-4-7-5;1-2-4-5-3-1/h2-8H,9,15H2,1H3,(H,16,18);2-8H,1H3,(H,16,18);2-4H,1H3,(H,9,11);2-4H,1H3;1-4H,(H,8,9);1-4H2
InChIKeyFPZRDOZMPZUKLW-UHFFFAOYSA-N
XLogP7.99
TPSA292.85 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001047.95
LogP ≤ 57.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid 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 4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid (CID 158107331) is 4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid is C1CCOC1.CNC(=O)c1cc(Cl)ccn1.CNC(=O)c1cc(Oc2ccc(C#N)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(CN)cc2)ccn1.COC(=O)c1cc(Cl)ccn1.O=C(O)c1ccccn1.
What is the InChIKey of 4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid?
The InChIKey is FPZRDOZMPZUKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2.C14H11N3O2.C7H7ClN2O.C7H6ClNO2.C6H5NO2.C4H8O/c2*1-16-14(18)13-8-12(6-7-17-13)19-11-4-2-10(9-15)3-5-11;1-9-7(11)6-4-5(8)2-3-10-6;1-11-7(10)6-4-5(8)2-3-9-6;8-6(9)5-3-1-2-4-7-5;1-2-4-5-3-1/h2-8H,9,15H2,1H3,(H,16,18);2-8H,1H3,(H,16,18);2-4H,1H3,(H,9,11);2-4H,1H3;1-4H,(H,8,9);1-4H2.
What are the key properties of 4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid?
4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid has a molecular weight of 1047.95 g/mol, XLogP of 7.99, 10 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;4-(4-cyanophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;oxolane;pyridine-2-carboxylic acid is sourced from PubChem (CID 158107331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).