4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide

C20H19ClN6O2 — CID 71622215

IUPAC4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2cccc(Cl)c2)c(C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C20H19ClN6O2/c1-2-23-20(29)27-18-10-17(25-14-6-3-5-13(21)9-14)16(12-24-18)19(28)26-15-7-4-8-22-11-15/h3-12H,2H2,1H3,(H,26,28)(H3,23,24,25,27,29)
InChIKeyMCOACGFNYKYOHE-UHFFFAOYSA-N
MW410.87 g/mol
LogP4.27
Rot. Bonds6

About 4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide

4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 71622215) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is 4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide
PubChem CID71622215
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC Name4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2cccc(Cl)c2)c(C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C20H19ClN6O2/c1-2-23-20(29)27-18-10-17(25-14-6-3-5-13(21)9-14)16(12-24-18)19(28)26-15-7-4-8-22-11-15/h3-12H,2H2,1H3,(H,26,28)(H3,23,24,25,27,29)
InChIKeyMCOACGFNYKYOHE-UHFFFAOYSA-N
XLogP4.27
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 54.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[[5-[[6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carbonyl]amino]-2-pyridinyl]amino]methyl 1-methylcyclobutane-1-carboxylate
CID 129094652
4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
CID 71621638
1-[5-chloro-8-(pyridin-3-ylamino)isoquinolin-3-yl]-3-ethylurea
CID 67450364
N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113018532
3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 129094682
3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]pentan-3-ylphosphonic acid
CID 129094660
4-(ethylamino)-6-methyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 81235839
2-[[4-[[4-(3-chloro-4-fluoroanilino)-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]methyl]butanoic acid
CID 129094705
1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
CID 72712074
1-ethyl-3-[3-(pyridin-3-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881916
(2R)-1-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]-2-tert-butylpyrrolidine-2-carboxylic acid
CID 129094720
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of 4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide (CID 71622215) is 4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide is CCNC(=O)Nc1cc(Nc2cccc(Cl)c2)c(C(=O)Nc2cccnc2)cn1.
What is the InChIKey of 4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is MCOACGFNYKYOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c1-2-23-20(29)27-18-10-17(25-14-6-3-5-13(21)9-14)16(12-24-18)19(28)26-15-7-4-8-22-11-15/h3-12H,2H2,1H3,(H,26,28)(H3,23,24,25,27,29).
What are the key properties of 4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide?
4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 410.87 g/mol, XLogP of 4.27, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 71622215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).