4-anilino-N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide

C21H20ClN5O2 — CID 71623041

IUPAC4-anilino-N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C21H20ClN5O2/c1-2-23-21(29)27-19-12-18(25-15-8-4-3-5-9-15)17(13-24-19)20(28)26-16-10-6-7-14(22)11-16/h3-13H,2H2,1H3,(H,26,28)(H3,23,24,25,27,29)
InChIKeyNWKITMVHAGNKIP-UHFFFAOYSA-N
MW409.88 g/mol
LogP4.87
Rot. Bonds6

About 4-anilino-N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide

4-anilino-N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide (PubChem CID 71623041) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 4-anilino-N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-anilino-N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
PubChem CID71623041
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name4-anilino-N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C21H20ClN5O2/c1-2-23-21(29)27-19-12-18(25-15-8-4-3-5-9-15)17(13-24-19)20(28)26-16-10-6-7-14(22)11-16/h3-13H,2H2,1H3,(H,26,28)(H3,23,24,25,27,29)
InChIKeyNWKITMVHAGNKIP-UHFFFAOYSA-N
XLogP4.87
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 54.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
The IUPAC name of 4-anilino-N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide (CID 71623041) is 4-anilino-N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-anilino-N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-anilino-N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide is CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2cccc(Cl)c2)cn1.
What is the InChIKey of 4-anilino-N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
The InChIKey is NWKITMVHAGNKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-2-23-21(29)27-19-12-18(25-15-8-4-3-5-9-15)17(13-24-19)20(28)26-16-10-6-7-14(22)11-16/h3-13H,2H2,1H3,(H,26,28)(H3,23,24,25,27,29).
What are the key properties of 4-anilino-N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
4-anilino-N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide has a molecular weight of 409.88 g/mol, XLogP of 4.87, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide is sourced from PubChem (CID 71623041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).