N-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide

C24H26FN5O2 — CID 71110410

IUPACN-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3C3C[C@@H](N)C(O)[C@@H](N)C3)n2)c1
InChIInChI=1S/C24H26FN5O2/c1-13-5-6-17(25)16(9-13)20-3-2-4-21(29-20)24(32)30-22-12-28-8-7-15(22)14-10-18(26)23(31)19(27)11-14/h2-9,12,14,18-19,23,31H,10-11,26-27H2,1H3,(H,30,32)/t14?,18-,19+,23?
InChIKeyHSFUSHAGGKATHS-UTMZEUIFSA-N
MW435.50 g/mol
LogP2.74
Rot. Bonds4

About N-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide

N-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide (PubChem CID 71110410) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
PubChem CID71110410
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC NameN-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3C3C[C@@H](N)C(O)[C@@H](N)C3)n2)c1
InChIInChI=1S/C24H26FN5O2/c1-13-5-6-17(25)16(9-13)20-3-2-4-21(29-20)24(32)30-22-12-28-8-7-15(22)14-10-18(26)23(31)19(27)11-14/h2-9,12,14,18-19,23,31H,10-11,26-27H2,1H3,(H,30,32)/t14?,18-,19+,23?
InChIKeyHSFUSHAGGKATHS-UTMZEUIFSA-N
XLogP2.74
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[(1R,3R,5S)-3-amino-5-(trifluoromethyl)cyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 46178859
2-[4-[(3R,5S)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-1-[6-(2-fluoro-5-methylphenyl)-2-pyridinyl]ethanone
CID 159970057
N-[4-[(1S,3S,4R,5R)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179668
N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide
CID 67890626
N-[4-[(1R,3R,4S,5S)-3-amino-4,5-dimethylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 143951540
N-[4-[(3R,5S)-3,5-diaminocyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179581
6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 59226554
N-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide
CID 89091551
N-[4-[(1S,3S,5R)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68556022
N-[4-[(1R,3R,4R,5S)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide
CID 70654809
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride
CID 126970584
N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 56600948

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide (CID 71110410) is N-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide is Cc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3C3C[C@@H](N)C(O)[C@@H](N)C3)n2)c1.
What is the InChIKey of N-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide?
The InChIKey is HSFUSHAGGKATHS-UTMZEUIFSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-13-5-6-17(25)16(9-13)20-3-2-4-21(29-20)24(32)30-22-12-28-8-7-15(22)14-10-18(26)23(31)19(27)11-14/h2-9,12,14,18-19,23,31H,10-11,26-27H2,1H3,(H,30,32)/t14?,18-,19+,23?.
What are the key properties of N-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide?
N-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 2.74, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 71110410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).