N-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide

C27H24N4O3 — CID 112846287

IUPACN-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCN(c1ccccc1)c1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cn1
InChIInChI=1S/C27H24N4O3/c1-31(23-12-6-3-7-13-23)25-16-15-20(18-28-25)27(33)30-22-11-8-14-24(17-22)34-19-26(32)29-21-9-4-2-5-10-21/h2-18H,19H2,1H3,(H,29,32)(H,30,33)
InChIKeyCARYJBAOVJANSL-UHFFFAOYSA-N
MW452.51 g/mol
LogP5.12
Rot. Bonds8

About N-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide

N-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide (PubChem CID 112846287) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide
PubChem CID112846287
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCN(c1ccccc1)c1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cn1
InChIInChI=1S/C27H24N4O3/c1-31(23-12-6-3-7-13-23)25-16-15-20(18-28-25)27(33)30-22-11-8-14-24(17-22)34-19-26(32)29-21-9-4-2-5-10-21/h2-18H,19H2,1H3,(H,29,32)(H,30,33)
InChIKeyCARYJBAOVJANSL-UHFFFAOYSA-N
XLogP5.12
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(N-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109162323
N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162326
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55901961
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide
CID 55993506
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55902221
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 55992738
N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 18870161
4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231371
N-(2,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162325
N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 112837289

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide (CID 112846287) is N-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide is CN(c1ccccc1)c1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cn1.
What is the InChIKey of N-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide?
The InChIKey is CARYJBAOVJANSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-31(23-12-6-3-7-13-23)25-16-15-20(18-28-25)27(33)30-22-11-8-14-24(17-22)34-19-26(32)29-21-9-4-2-5-10-21/h2-18H,19H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide?
N-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 112846287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).