N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide

C22H25FN2O — CID 74227684

IUPACN-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide
SMILESCCCCC#Cc1cncc(C(=O)NC(C)(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C22H25FN2O/c1-4-5-6-7-8-18-13-19(16-24-15-18)21(26)25-22(2,3)14-17-9-11-20(23)12-10-17/h9-13,15-16H,4-6,14H2,1-3H3,(H,25,26)
InChIKeyMZMAXQZHMQTTQI-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.51
Rot. Bonds6

About N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide

N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide (PubChem CID 74227684) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide
PubChem CID74227684
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide
SMILESCCCCC#Cc1cncc(C(=O)NC(C)(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C22H25FN2O/c1-4-5-6-7-8-18-13-19(16-24-15-18)21(26)25-22(2,3)14-17-9-11-20(23)12-10-17/h9-13,15-16H,4-6,14H2,1-3H3,(H,25,26)
InChIKeyMZMAXQZHMQTTQI-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide
CID 3852765
5-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 106331039
methyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate
CID 3710858
4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide
CID 11291032
5-(4-hydroxybut-1-ynyl)-N-propylpyridine-3-carboxamide
CID 54974842
N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-5-hex-1-ynylpyridine-3-carboxamide
CID 3676682
methyl 2-[[4-[(5-hex-1-ynylpyridine-3-carbonyl)amino]piperidine-4-carbonyl]amino]-3-hydroxypropanoate
CID 3794121
5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 3857340
2-(4-fluorophenyl)-5-hex-1-ynylpyrimidine
CID 19386416
3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide
CID 118777041
ethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 5006622
5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
CID 83023468

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide (CID 74227684) is N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide is CCCCC#Cc1cncc(C(=O)NC(C)(C)Cc2ccc(F)cc2)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide?
The InChIKey is MZMAXQZHMQTTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-4-5-6-7-8-18-13-19(16-24-15-18)21(26)25-22(2,3)14-17-9-11-20(23)12-10-17/h9-13,15-16H,4-6,14H2,1-3H3,(H,25,26).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide?
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide has a molecular weight of 352.45 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide is sourced from PubChem (CID 74227684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).