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

C21H19ClN4O2 — CID 118712313

IUPACN-(3-chlorophenyl)-6-(ethylcarbamoylamino)-4-phenylpyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(-c2ccccc2)c(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C21H19ClN4O2/c1-2-23-21(28)26-19-12-17(14-7-4-3-5-8-14)18(13-24-19)20(27)25-16-10-6-9-15(22)11-16/h3-13H,2H2,1H3,(H,25,27)(H2,23,24,26,28)
InChIKeyYMYSBGNTLMKPJD-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.80
Rot. Bonds5

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

N-(3-chlorophenyl)-6-(ethylcarbamoylamino)-4-phenylpyridine-3-carboxamide (PubChem CID 118712313) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(ethylcarbamoylamino)-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(ethylcarbamoylamino)-4-phenylpyridine-3-carboxamide
PubChem CID118712313
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-(3-chlorophenyl)-6-(ethylcarbamoylamino)-4-phenylpyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(-c2ccccc2)c(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C21H19ClN4O2/c1-2-23-21(28)26-19-12-17(14-7-4-3-5-8-14)18(13-24-19)20(27)25-16-10-6-9-15(22)11-16/h3-13H,2H2,1H3,(H,25,27)(H2,23,24,26,28)
InChIKeyYMYSBGNTLMKPJD-UHFFFAOYSA-N
XLogP4.80
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloropyridin-2-yl)-5-methyl-2-[4-(N-methylethanimidamido)benzamido]benzamide
CID 53374963
Bisanilinopyrimidine, 6p
CID 70702144
5-Chloro-2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470666
5-Chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470667
5-Chloro-2-ethyl-9-methyl-13-[(phenylamino)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470669
13-{[(3-Aminophenyl)amino]methyl}-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470675
5-Chloro-2-ethyl-9-methyl-13-[2-(4-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470741
5-Chloro-2-ethyl-9-methyl-13-[2-(3-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470742
5-Chloro-2-ethyl-9-methyl-13-[2-(2-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470746
[3-(2-{5-Chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-13-yl}ethyl)phenyl]urea
CID 470748
13-[2-(3-Azidophenyl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470749
13-[2-(2-Aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470751

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(ethylcarbamoylamino)-4-phenylpyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(ethylcarbamoylamino)-4-phenylpyridine-3-carboxamide (CID 118712313) is N-(3-chlorophenyl)-6-(ethylcarbamoylamino)-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(ethylcarbamoylamino)-4-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(ethylcarbamoylamino)-4-phenylpyridine-3-carboxamide is CCNC(=O)Nc1cc(-c2ccccc2)c(C(=O)Nc2cccc(Cl)c2)cn1.
What is the InChIKey of N-(3-chlorophenyl)-6-(ethylcarbamoylamino)-4-phenylpyridine-3-carboxamide?
The InChIKey is YMYSBGNTLMKPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-2-23-21(28)26-19-12-17(14-7-4-3-5-8-14)18(13-24-19)20(27)25-16-10-6-9-15(22)11-16/h3-13H,2H2,1H3,(H,25,27)(H2,23,24,26,28).
What are the key properties of N-(3-chlorophenyl)-6-(ethylcarbamoylamino)-4-phenylpyridine-3-carboxamide?
N-(3-chlorophenyl)-6-(ethylcarbamoylamino)-4-phenylpyridine-3-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(ethylcarbamoylamino)-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 118712313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).