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

C20H22FN7O2 — CID 152912147

IUPAC6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@@H]2CCCCC2N)nc1Nc1cncc(-c2cnco2)c1
InChIInChI=1S/C20H22FN7O2/c21-14-6-13(18(23)29)19(28-20(14)27-16-4-2-1-3-15(16)22)26-12-5-11(7-24-8-12)17-9-25-10-30-17/h5-10,15-16H,1-4,22H2,(H2,23,29)(H2,26,27,28)/t15?,16-/m1/s1
InChIKeyUHKJASQCIPDNPT-OEMAIJDKSA-N
MW411.44 g/mol
LogP2.80
Rot. Bonds6

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

6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 152912147) has the molecular formula C20H22FN7O2 and a molecular weight of 411.44 g/mol. Its IUPAC name is 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID152912147
Molecular FormulaC20H22FN7O2
Molecular Weight411.44 g/mol
Exact Mass411.18
IUPAC Name6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@@H]2CCCCC2N)nc1Nc1cncc(-c2cnco2)c1
InChIInChI=1S/C20H22FN7O2/c21-14-6-13(18(23)29)19(28-20(14)27-16-4-2-1-3-15(16)22)26-12-5-11(7-24-8-12)17-9-25-10-30-17/h5-10,15-16H,1-4,22H2,(H2,23,29)(H2,26,27,28)/t15?,16-/m1/s1
InChIKeyUHKJASQCIPDNPT-OEMAIJDKSA-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

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide (CID 152912147) is 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide is NC(=O)c1cc(F)c(N[C@@H]2CCCCC2N)nc1Nc1cncc(-c2cnco2)c1.
What is the InChIKey of 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is UHKJASQCIPDNPT-OEMAIJDKSA-N. The full InChI is InChI=1S/C20H22FN7O2/c21-14-6-13(18(23)29)19(28-20(14)27-16-4-2-1-3-15(16)22)26-12-5-11(7-24-8-12)17-9-25-10-30-17/h5-10,15-16H,1-4,22H2,(H2,23,29)(H2,26,27,28)/t15?,16-/m1/s1.
What are the key properties of 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide?
6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-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-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 152912147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).