4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridine-3-carboxamide

C21H21N5O2 — CID 71620851

IUPAC4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C21H21N5O2/c1-2-22-21(28)26-19-13-18(24-15-9-5-3-6-10-15)17(14-23-19)20(27)25-16-11-7-4-8-12-16/h3-14H,2H2,1H3,(H,25,27)(H3,22,23,24,26,28)
InChIKeyYSAOQGLUGNNBME-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.22
Rot. Bonds6

About 4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridine-3-carboxamide

4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridine-3-carboxamide (PubChem CID 71620851) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridine-3-carboxamide
PubChem CID71620851
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C21H21N5O2/c1-2-22-21(28)26-19-13-18(24-15-9-5-3-6-10-15)17(14-23-19)20(27)25-16-11-7-4-8-12-16/h3-14H,2H2,1H3,(H,25,27)(H3,22,23,24,26,28)
InChIKeyYSAOQGLUGNNBME-UHFFFAOYSA-N
XLogP4.22
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridine-3-carboxamide?
The IUPAC name of 4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridine-3-carboxamide (CID 71620851) is 4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridine-3-carboxamide is CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccccc2)cn1.
What is the InChIKey of 4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridine-3-carboxamide?
The InChIKey is YSAOQGLUGNNBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-2-22-21(28)26-19-13-18(24-15-9-5-3-6-10-15)17(14-23-19)20(27)25-16-11-7-4-8-12-16/h3-14H,2H2,1H3,(H,25,27)(H3,22,23,24,26,28).
What are the key properties of 4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridine-3-carboxamide?
4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 71620851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).