4-[2-amino-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-pyridinyl]benzamide

C22H22N4O3 — CID 129202588

IUPAC4-[2-amino-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-pyridinyl]benzamide
SMILESCN(C)C(=O)COc1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cc1
InChIInChI=1S/C22H22N4O3/c1-26(2)20(27)13-29-18-9-7-14(8-10-18)17-11-19(21(23)25-12-17)15-3-5-16(6-4-15)22(24)28/h3-12H,13H2,1-2H3,(H2,23,25)(H2,24,28)
InChIKeyMQXONQXQRRXGAS-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.56
Rot. Bonds6

About 4-[2-amino-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-pyridinyl]benzamide

4-[2-amino-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-pyridinyl]benzamide (PubChem CID 129202588) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[2-amino-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[2-amino-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-pyridinyl]benzamide
PubChem CID129202588
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-[2-amino-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-pyridinyl]benzamide
SMILESCN(C)C(=O)COc1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cc1
InChIInChI=1S/C22H22N4O3/c1-26(2)20(27)13-29-18-9-7-14(8-10-18)17-11-19(21(23)25-12-17)15-3-5-16(6-4-15)22(24)28/h3-12H,13H2,1-2H3,(H2,23,25)(H2,24,28)
InChIKeyMQXONQXQRRXGAS-UHFFFAOYSA-N
XLogP2.56
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-pyridinyl]benzamide?
The IUPAC name of 4-[2-amino-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-pyridinyl]benzamide (CID 129202588) is 4-[2-amino-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[2-amino-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-pyridinyl]benzamide?
The canonical SMILES for 4-[2-amino-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-pyridinyl]benzamide is CN(C)C(=O)COc1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cc1.
What is the InChIKey of 4-[2-amino-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-pyridinyl]benzamide?
The InChIKey is MQXONQXQRRXGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-26(2)20(27)13-29-18-9-7-14(8-10-18)17-11-19(21(23)25-12-17)15-3-5-16(6-4-15)22(24)28/h3-12H,13H2,1-2H3,(H2,23,25)(H2,24,28).
What are the key properties of 4-[2-amino-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-pyridinyl]benzamide?
4-[2-amino-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-pyridinyl]benzamide has a molecular weight of 390.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 129202588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).