4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide

C20H19FN6O2 — CID 121284861

IUPAC4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O
InChIInChI=1S/C20H19FN6O2/c1-2-23-20(29)14-11-25-18(27-17-8-7-12(21)10-24-17)9-16(14)26-15-6-4-3-5-13(15)19(22)28/h3-11H,2H2,1H3,(H2,22,28)(H,23,29)(H2,24,25,26,27)
InChIKeyCCRMXUXRFLBUQY-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.95
Rot. Bonds7

About 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide

4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 121284861) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID121284861
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O
InChIInChI=1S/C20H19FN6O2/c1-2-23-20(29)14-11-25-18(27-17-8-7-12(21)10-24-17)9-16(14)26-15-6-4-3-5-13(15)19(22)28/h3-11H,2H2,1H3,(H2,22,28)(H,23,29)(H2,24,25,26,27)
InChIKeyCCRMXUXRFLBUQY-UHFFFAOYSA-N
XLogP2.95
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide with MolForge

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Related Compounds

11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 107867
Pirenzepine
CID 4848
Motesanib
CID 11667893
Mk-0873
CID 9919680
Pirenzepine Hydrochloride
CID 71405
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
N-(4-(1-Cyanocyclopentyl)phenyl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide
CID 11315474
Jnk-IN-8
CID 57340686
AQ-RA 741
CID 129989
5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 70169
7-Amino-1-methyl-3-[5-[[3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-one
CID 10062694
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide (CID 121284861) is 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide is CCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O.
What is the InChIKey of 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is CCRMXUXRFLBUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-2-23-20(29)14-11-25-18(27-17-8-7-12(21)10-24-17)9-16(14)26-15-6-4-3-5-13(15)19(22)28/h3-11H,2H2,1H3,(H2,22,28)(H,23,29)(H2,24,25,26,27).
What are the key properties of 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide?
4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 121284861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).