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

C24H24F2N4O2 — CID 59226504

IUPACN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
SMILESC[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2nc(-c3cc(O)ccc3F)ccc2F)C1
InChIInChI=1S/C24H24F2N4O2/c1-13-8-14(10-15(27)9-13)17-6-7-28-12-22(17)30-24(32)23-20(26)4-5-21(29-23)18-11-16(31)2-3-19(18)25/h2-7,11-15,31H,8-10,27H2,1H3,(H,30,32)/t13-,14+,15-/m0/s1
InChIKeyFUCDNRWEBGAXAG-ZNMIVQPWSA-N
MW438.48 g/mol
LogP4.61
Rot. Bonds4

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

N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide (PubChem CID 59226504) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
PubChem CID59226504
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
SMILESC[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2nc(-c3cc(O)ccc3F)ccc2F)C1
InChIInChI=1S/C24H24F2N4O2/c1-13-8-14(10-15(27)9-13)17-6-7-28-12-22(17)30-24(32)23-20(26)4-5-21(29-23)18-11-16(31)2-3-19(18)25/h2-7,11-15,31H,8-10,27H2,1H3,(H,30,32)/t13-,14+,15-/m0/s1
InChIKeyFUCDNRWEBGAXAG-ZNMIVQPWSA-N
XLogP4.61
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.61
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,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide (CID 59226504) is N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide is C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2nc(-c3cc(O)ccc3F)ccc2F)C1.
What is the InChIKey of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide?
The InChIKey is FUCDNRWEBGAXAG-ZNMIVQPWSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c1-13-8-14(10-15(27)9-13)17-6-7-28-12-22(17)30-24(32)23-20(26)4-5-21(29-23)18-11-16(31)2-3-19(18)25/h2-7,11-15,31H,8-10,27H2,1H3,(H,30,32)/t13-,14+,15-/m0/s1.
What are the key properties of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide?
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 4.61, 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,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 59226504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).