N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide

C23H22F2N4O2 — CID 59226456

IUPACN-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
SMILESN[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cc(O)ccc3F)n2)C1
InChIInChI=1S/C23H22F2N4O2/c24-18-5-4-15(30)11-17(18)22-19(25)6-7-20(28-22)23(31)29-21-12-27-9-8-16(21)13-2-1-3-14(26)10-13/h4-9,11-14,30H,1-3,10,26H2,(H,29,31)/t13-,14+/m1/s1
InChIKeySSNMZFGVXQYUKP-KGLIPLIRSA-N
MW424.45 g/mol
LogP4.36
Rot. Bonds4

About N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide

N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide (PubChem CID 59226456) has the molecular formula C23H22F2N4O2 and a molecular weight of 424.45 g/mol. Its IUPAC name is N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
PubChem CID59226456
Molecular FormulaC23H22F2N4O2
Molecular Weight424.45 g/mol
Exact Mass424.17
IUPAC NameN-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
SMILESN[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cc(O)ccc3F)n2)C1
InChIInChI=1S/C23H22F2N4O2/c24-18-5-4-15(30)11-17(18)22-19(25)6-7-20(28-22)23(31)29-21-12-27-9-8-16(21)13-2-1-3-14(26)10-13/h4-9,11-14,30H,1-3,10,26H2,(H,29,31)/t13-,14+/m1/s1
InChIKeySSNMZFGVXQYUKP-KGLIPLIRSA-N
XLogP4.36
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide (CID 59226456) is N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide is N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cc(O)ccc3F)n2)C1.
What is the InChIKey of N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide?
The InChIKey is SSNMZFGVXQYUKP-KGLIPLIRSA-N. The full InChI is InChI=1S/C23H22F2N4O2/c24-18-5-4-15(30)11-17(18)22-19(25)6-7-20(28-22)23(31)29-21-12-27-9-8-16(21)13-2-1-3-14(26)10-13/h4-9,11-14,30H,1-3,10,26H2,(H,29,31)/t13-,14+/m1/s1.
What are the key properties of N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide?
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 4.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 59226456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).