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

C24H25F2N5O3 — CID 70656150

IUPAC3-amino-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide
SMILESC[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3ncccc3F)ccc2N)C[C@@H](O)[C@@]1(O)CF
InChIInChI=1S/C24H25F2N5O3/c1-13-9-14(10-20(32)24(13,34)12-25)15-6-8-28-11-19(15)31-23(33)22-17(27)4-5-18(30-22)21-16(26)3-2-7-29-21/h2-8,11,13-14,20,32,34H,9-10,12,27H2,1H3,(H,31,33)/t13-,14+,20+,24+/m0/s1
InChIKeyLJODAYYMQPHCRE-FTMGGNRSSA-N
MW469.49 g/mol
LogP3.09
Rot. Bonds5

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

3-amino-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 70656150) has the molecular formula C24H25F2N5O3 and a molecular weight of 469.49 g/mol. Its IUPAC name is 3-amino-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide
PubChem CID70656150
Molecular FormulaC24H25F2N5O3
Molecular Weight469.49 g/mol
Exact Mass469.19
IUPAC Name3-amino-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide
SMILESC[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3ncccc3F)ccc2N)C[C@@H](O)[C@@]1(O)CF
InChIInChI=1S/C24H25F2N5O3/c1-13-9-14(10-20(32)24(13,34)12-25)15-6-8-28-11-19(15)31-23(33)22-17(27)4-5-18(30-22)21-16(26)3-2-7-29-21/h2-8,11,13-14,20,32,34H,9-10,12,27H2,1H3,(H,31,33)/t13-,14+,20+,24+/m0/s1
InChIKeyLJODAYYMQPHCRE-FTMGGNRSSA-N
XLogP3.09
TPSA134.25 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 59226518
N-[4-[(1R,3R,4R,5S)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46178380
6-(2,6-Difluorophenyl)-5-fluoro-n-(4-((1r,3s,5s)-3-hydroxy-5-methylcyclohexyl)pyridin-3-yl)picolinamide
CID 46178939
6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 59226554
3-amino-6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 66554686
3-amino-N-(4-((3R,4R)-3-amino-4-hydroxy-piperidin-1-yl)pyridin-3-yl)-6-(2,6-difluorophenyl)picolinamide
CID 69042864
3-amino-N-[4-[(1R,3R,4R,5S)-4-ethyl-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 70655785
3-amino-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 70655914
6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 70656288
5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide
CID 70656307
5-amino-2-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]pyrimidine-4-carboxamide
CID 70656542
3-amino-N-[4-[(1R,3R,4R,5S)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-cyclohexylpyridine-2-carboxamide
CID 46179670

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide (CID 70656150) is 3-amino-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide is C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3ncccc3F)ccc2N)C[C@@H](O)[C@@]1(O)CF.
What is the InChIKey of 3-amino-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is LJODAYYMQPHCRE-FTMGGNRSSA-N. The full InChI is InChI=1S/C24H25F2N5O3/c1-13-9-14(10-20(32)24(13,34)12-25)15-6-8-28-11-19(15)31-23(33)22-17(27)4-5-18(30-22)21-16(26)3-2-7-29-21/h2-8,11,13-14,20,32,34H,9-10,12,27H2,1H3,(H,31,33)/t13-,14+,20+,24+/m0/s1.
What are the key properties of 3-amino-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide?
3-amino-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 3.09, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(1R,3R,4R,5S)-4-(fluoromethyl)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 70656150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).