6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide

C15H14F3N5O2 — CID 141371382

IUPAC6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2cc(F)c(F)c(F)c2)c(C(N)=O)cn1
InChIInChI=1S/C15H14F3N5O2/c1-2-20-15(25)23-12-5-11(8(6-21-12)14(19)24)22-7-3-9(16)13(18)10(17)4-7/h3-6H,2H2,1H3,(H2,19,24)(H3,20,21,22,23,25)
InChIKeyMEZZSHFZIJASOG-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.48
Rot. Bonds5

About 6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide

6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide (PubChem CID 141371382) has the molecular formula C15H14F3N5O2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide
PubChem CID141371382
Molecular FormulaC15H14F3N5O2
Molecular Weight353.30 g/mol
Exact Mass353.11
IUPAC Name6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2cc(F)c(F)c(F)c2)c(C(N)=O)cn1
InChIInChI=1S/C15H14F3N5O2/c1-2-20-15(25)23-12-5-11(8(6-21-12)14(19)24)22-7-3-9(16)13(18)10(17)4-7/h3-6H,2H2,1H3,(H2,19,24)(H3,20,21,22,23,25)
InChIKeyMEZZSHFZIJASOG-UHFFFAOYSA-N
XLogP2.48
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
CID 71621638
4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one
CID 157325414
3-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]benzamide
CID 67450696
2-[[4-[[4-(3-chloro-4-fluoroanilino)-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]methyl]butanoic acid
CID 129094705
1-[4-anilino-5-(morpholine-4-carbonyl)-2-pyridinyl]-3-ethylurea
CID 71621323
4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 71621935
4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 158104035
4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide
CID 71622215
4-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]benzamide;hydrochloride
CID 89499661
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-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide
CID 170281200

Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide?
The IUPAC name of 6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide (CID 141371382) is 6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide is CCNC(=O)Nc1cc(Nc2cc(F)c(F)c(F)c2)c(C(N)=O)cn1.
What is the InChIKey of 6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide?
The InChIKey is MEZZSHFZIJASOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2/c1-2-20-15(25)23-12-5-11(8(6-21-12)14(19)24)22-7-3-9(16)13(18)10(17)4-7/h3-6H,2H2,1H3,(H2,19,24)(H3,20,21,22,23,25).
What are the key properties of 6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide?
6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 2.48, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 141371382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).