N-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide

C14H18FN3O — CID 144683850

IUPACN-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide
SMILESCC[C@@H](NC(=O)c1ccnc(F)c1)[C@@H](C)C(C)C#N
InChIInChI=1S/C14H18FN3O/c1-4-12(10(3)9(2)8-16)18-14(19)11-5-6-17-13(15)7-11/h5-7,9-10,12H,4H2,1-3H3,(H,18,19)/t9?,10-,12+/m0/s1
InChIKeyQXGONKSEXULCAX-OJBNZGHXSA-N
MW263.32 g/mol
LogP2.52
Rot. Bonds5

About N-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide

N-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 144683850) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide
PubChem CID144683850
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide
SMILESCC[C@@H](NC(=O)c1ccnc(F)c1)[C@@H](C)C(C)C#N
InChIInChI=1S/C14H18FN3O/c1-4-12(10(3)9(2)8-16)18-14(19)11-5-6-17-13(15)7-11/h5-7,9-10,12H,4H2,1-3H3,(H,18,19)/t9?,10-,12+/m0/s1
InChIKeyQXGONKSEXULCAX-OJBNZGHXSA-N
XLogP2.52
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-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

methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 61499841
2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide
CID 130993762
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate
CID 60565397
2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 115631310
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113263127
2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 114036636
N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide
CID 61293078
2-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65036628
2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 61295487
2-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 113228858
N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide
CID 55069124

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide (CID 144683850) is N-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide is CC[C@@H](NC(=O)c1ccnc(F)c1)[C@@H](C)C(C)C#N.
What is the InChIKey of N-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide?
The InChIKey is QXGONKSEXULCAX-OJBNZGHXSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-12(10(3)9(2)8-16)18-14(19)11-5-6-17-13(15)7-11/h5-7,9-10,12H,4H2,1-3H3,(H,18,19)/t9?,10-,12+/m0/s1.
What are the key properties of N-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide?
N-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-5-cyano-4-methylhexan-3-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 144683850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).