6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide

C20H22FN7O2 — CID 68624943

IUPAC6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(NC2CCCCC2N)nc1Nc1cncc(-c2ccno2)c1
InChIInChI=1S/C20H22FN7O2/c21-14-8-13(18(23)29)19(28-20(14)27-16-4-2-1-3-15(16)22)26-12-7-11(9-24-10-12)17-5-6-25-30-17/h5-10,15-16H,1-4,22H2,(H2,23,29)(H2,26,27,28)
InChIKeyJDOHEFVKMORRCD-UHFFFAOYSA-N
MW411.44 g/mol
LogP2.80
Rot. Bonds6

About 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide

6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 68624943) has the molecular formula C20H22FN7O2 and a molecular weight of 411.44 g/mol. Its IUPAC name is 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID68624943
Molecular FormulaC20H22FN7O2
Molecular Weight411.44 g/mol
Exact Mass411.18
IUPAC Name6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(NC2CCCCC2N)nc1Nc1cncc(-c2ccno2)c1
InChIInChI=1S/C20H22FN7O2/c21-14-8-13(18(23)29)19(28-20(14)27-16-4-2-1-3-15(16)22)26-12-7-11(9-24-10-12)17-5-6-25-30-17/h5-10,15-16H,1-4,22H2,(H2,23,29)(H2,26,27,28)
InChIKeyJDOHEFVKMORRCD-UHFFFAOYSA-N
XLogP2.80
TPSA144.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 152912147
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
CID 69284851
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 135305758
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 67777059
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 77353295
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(4-chloroanilino)-5-fluoropyridine-3-carboxamide
CID 69285084
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide
CID 69284997
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67776986
6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 163538424
6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 56599745
6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56599747
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-[[4-(trifluoromethoxy)benzoyl]amino]-3-pyridinyl]amino]pyridine-3-carboxamide
CID 162542925

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide (CID 68624943) is 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide is NC(=O)c1cc(F)c(NC2CCCCC2N)nc1Nc1cncc(-c2ccno2)c1.
What is the InChIKey of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is JDOHEFVKMORRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O2/c21-14-8-13(18(23)29)19(28-20(14)27-16-4-2-1-3-15(16)22)26-12-7-11(9-24-10-12)17-5-6-25-30-17/h5-10,15-16H,1-4,22H2,(H2,23,29)(H2,26,27,28).
What are the key properties of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide?
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 68624943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).