N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide

C16H23FN2O2 — CID 124844495

IUPACN-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide
SMILESO=C(NC[C@H](CO)CC1CCCCC1)c1cncc(F)c1
InChIInChI=1S/C16H23FN2O2/c17-15-7-14(9-18-10-15)16(21)19-8-13(11-20)6-12-4-2-1-3-5-12/h7,9-10,12-13,20H,1-6,8,11H2,(H,19,21)/t13-/m1/s1
InChIKeyGKLMRTMUAWPCDP-CYBMUJFWSA-N
MW294.37 g/mol
LogP2.53
Rot. Bonds6

About N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide

N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide (PubChem CID 124844495) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide
PubChem CID124844495
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide
SMILESO=C(NC[C@H](CO)CC1CCCCC1)c1cncc(F)c1
InChIInChI=1S/C16H23FN2O2/c17-15-7-14(9-18-10-15)16(21)19-8-13(11-20)6-12-4-2-1-3-5-12/h7,9-10,12-13,20H,1-6,8,11H2,(H,19,21)/t13-/m1/s1
InChIKeyGKLMRTMUAWPCDP-CYBMUJFWSA-N
XLogP2.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide
CID 104786596
N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 124844251
N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide
CID 124743745
N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide
CID 104786575
2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 104785629
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride
CID 119589722
1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
CID 124847238
N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide
CID 115737021
N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide
CID 104786341
N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide
CID 63851883
N-(cyclopentylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63865672
2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 104785617

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide (CID 124844495) is N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide is O=C(NC[C@H](CO)CC1CCCCC1)c1cncc(F)c1.
What is the InChIKey of N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is GKLMRTMUAWPCDP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-15-7-14(9-18-10-15)16(21)19-8-13(11-20)6-12-4-2-1-3-5-12/h7,9-10,12-13,20H,1-6,8,11H2,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide?
N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 124844495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).