6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide

C23H23N3O3 — CID 60563554

IUPAC6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)c2ccc(NC3CC3)nc2)cc1
InChIInChI=1S/C23H23N3O3/c1-2-28-18-10-12-19(13-11-18)29-21-6-4-3-5-20(21)26-23(27)16-7-14-22(24-15-16)25-17-8-9-17/h3-7,10-15,17H,2,8-9H2,1H3,(H,24,25)(H,26,27)
InChIKeyIXHVSDHICUTUQR-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.10
Rot. Bonds8

About 6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide

6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide (PubChem CID 60563554) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
PubChem CID60563554
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)c2ccc(NC3CC3)nc2)cc1
InChIInChI=1S/C23H23N3O3/c1-2-28-18-10-12-19(13-11-18)29-21-6-4-3-5-20(21)26-23(27)16-7-14-22(24-15-16)25-17-8-9-17/h3-7,10-15,17H,2,8-9H2,1H3,(H,24,25)(H,26,27)
InChIKeyIXHVSDHICUTUQR-UHFFFAOYSA-N
XLogP5.10
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26243696
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
4-acetamido-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 26243690
6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109160992
N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide
CID 26243693
1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea
CID 7944422
ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109160203
N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630301
N-[2-(4-ethoxyphenoxy)phenyl]-4-(ethylsulfamoyl)benzamide
CID 39971958
N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24673188
5-(cyclopropylsulfamoyl)-N-[2-(4-ethoxyphenoxy)phenyl]-2-methylbenzamide
CID 24585807
4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672214

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide (CID 60563554) is 6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide is CCOc1ccc(Oc2ccccc2NC(=O)c2ccc(NC3CC3)nc2)cc1.
What is the InChIKey of 6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is IXHVSDHICUTUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-2-28-18-10-12-19(13-11-18)29-21-6-4-3-5-20(21)26-23(27)16-7-14-22(24-15-16)25-17-8-9-17/h3-7,10-15,17H,2,8-9H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide?
6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 60563554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).