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

C18H23FN6O2 — CID 69284851

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCOc1cncc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(F)cc2C(N)=O)c1
InChIInChI=1S/C18H23FN6O2/c1-27-11-6-10(8-22-9-11)23-17-12(16(21)26)7-13(19)18(25-17)24-15-5-3-2-4-14(15)20/h6-9,14-15H,2-5,20H2,1H3,(H2,21,26)(H2,23,24,25)/t14-,15+/m0/s1
InChIKeyWBGWWYWNNNAAAN-LSDHHAIUSA-N
MW374.42 g/mol
LogP2.15
Rot. Bonds6

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

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 69284851) has the molecular formula C18H23FN6O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID69284851
Molecular FormulaC18H23FN6O2
Molecular Weight374.42 g/mol
Exact Mass374.19
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCOc1cncc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(F)cc2C(N)=O)c1
InChIInChI=1S/C18H23FN6O2/c1-27-11-6-10(8-22-9-11)23-17-12(16(21)26)7-13(19)18(25-17)24-15-5-3-2-4-14(15)20/h6-9,14-15H,2-5,20H2,1H3,(H2,21,26)(H2,23,24,25)/t14-,15+/m0/s1
InChIKeyWBGWWYWNNNAAAN-LSDHHAIUSA-N
XLogP2.15
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide (CID 69284851) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide is COc1cncc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(F)cc2C(N)=O)c1.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is WBGWWYWNNNAAAN-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H23FN6O2/c1-27-11-6-10(8-22-9-11)23-17-12(16(21)26)7-13(19)18(25-17)24-15-5-3-2-4-14(15)20/h6-9,14-15H,2-5,20H2,1H3,(H2,21,26)(H2,23,24,25)/t14-,15+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 69284851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).