6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide

C22H21ClN4O3 — CID 146539568

IUPAC6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
SMILES[H]/N=C/c1c(Oc2ccc(-c3cc(CCO)cc(C(N)=O)n3)cc2)ccc(Cl)c1NC
InChIInChI=1S/C22H21ClN4O3/c1-26-21-16(12-24)20(7-6-17(21)23)30-15-4-2-14(3-5-15)18-10-13(8-9-28)11-19(27-18)22(25)29/h2-7,10-12,24,26,28H,8-9H2,1H3,(H2,25,29)/b24-12+
InChIKeyKWSQPHUSDAQUFC-WYMPLXKRSA-N
MW424.89 g/mol
LogP3.87
Rot. Bonds8

About 6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide

6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 146539568) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is 6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
PubChem CID146539568
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
SMILES[H]/N=C/c1c(Oc2ccc(-c3cc(CCO)cc(C(N)=O)n3)cc2)ccc(Cl)c1NC
InChIInChI=1S/C22H21ClN4O3/c1-26-21-16(12-24)20(7-6-17(21)23)30-15-4-2-14(3-5-15)18-10-13(8-9-28)11-19(27-18)22(25)29/h2-7,10-12,24,26,28H,8-9H2,1H3,(H2,25,29)/b24-12+
InChIKeyKWSQPHUSDAQUFC-WYMPLXKRSA-N
XLogP3.87
TPSA121.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
CID 139382160
6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
CID 144717308
4-[(2R)-2,3-dihydroxypropyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66799547
4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66806391
5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 171820164
4-chloro-2-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709587
2-[4-chloro-3-(4-methoxyphenyl)phenyl]ethanol
CID 170838643
4-[4-(2-hydroxyethyl)phenoxy]pyridine-2-carboxamide
CID 107709658
4-[4-[4,6-bis(2-hydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile
CID 123599881
6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide
CID 56943523
4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81152006
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide (CID 146539568) is 6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide is [H]/N=C/c1c(Oc2ccc(-c3cc(CCO)cc(C(N)=O)n3)cc2)ccc(Cl)c1NC.
What is the InChIKey of 6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is KWSQPHUSDAQUFC-WYMPLXKRSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-26-21-16(12-24)20(7-6-17(21)23)30-15-4-2-14(3-5-15)18-10-13(8-9-28)11-19(27-18)22(25)29/h2-7,10-12,24,26,28H,8-9H2,1H3,(H2,25,29)/b24-12+.
What are the key properties of 6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide?
6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide has a molecular weight of 424.89 g/mol, XLogP of 3.87, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 146539568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).