5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide

C21H23FN4O2 — CID 163227738

IUPAC5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
SMILESCC[C@@H](O)CNc1ncc(-c2cc(C(=O)NC3CC3)c(F)cc2C)cc1C#N
InChIInChI=1S/C21H23FN4O2/c1-3-16(27)11-25-20-13(9-23)7-14(10-24-20)17-8-18(19(22)6-12(17)2)21(28)26-15-4-5-15/h6-8,10,15-16,27H,3-5,11H2,1-2H3,(H,24,25)(H,26,28)/t16-/m1/s1
InChIKeyHWDRWSXXGSCYHJ-MRXNPFEDSA-N
MW382.44 g/mol
LogP3.14
Rot. Bonds7

About 5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide

5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide (PubChem CID 163227738) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
PubChem CID163227738
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
SMILESCC[C@@H](O)CNc1ncc(-c2cc(C(=O)NC3CC3)c(F)cc2C)cc1C#N
InChIInChI=1S/C21H23FN4O2/c1-3-16(27)11-25-20-13(9-23)7-14(10-24-20)17-8-18(19(22)6-12(17)2)21(28)26-15-4-5-15/h6-8,10,15-16,27H,3-5,11H2,1-2H3,(H,24,25)(H,26,28)/t16-/m1/s1
InChIKeyHWDRWSXXGSCYHJ-MRXNPFEDSA-N
XLogP3.14
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide 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

5-[5-cyano-6-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 163227747
N-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide
CID 163227561
N-cyclopropyl-2-fluoro-5-[6-[[1,1,1,3,3,3-hexadeuterio-2-(hydroxymethyl)propan-2-yl]amino]-5-[1-(trideuteriomethyl)pyrazol-4-yl]-3-pyridinyl]-4-methylbenzamide
CID 163227824
N-cyclopropyl-5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 163227722
N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 130405188
N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide
CID 171906052
3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 134328512
5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide
CID 163227803
N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(methylamino)-3-pyridinyl]-4-methylbenzamide
CID 163227607
N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 161138760
2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide
CID 136547195
N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide
CID 156846136

Frequently Asked Questions

What is the IUPAC name of 5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide?
The IUPAC name of 5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide (CID 163227738) is 5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide.
What is the SMILES notation for 5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide?
The canonical SMILES for 5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide is CC[C@@H](O)CNc1ncc(-c2cc(C(=O)NC3CC3)c(F)cc2C)cc1C#N.
What is the InChIKey of 5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide?
The InChIKey is HWDRWSXXGSCYHJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-3-16(27)11-25-20-13(9-23)7-14(10-24-20)17-8-18(19(22)6-12(17)2)21(28)26-15-4-5-15/h6-8,10,15-16,27H,3-5,11H2,1-2H3,(H,24,25)(H,26,28)/t16-/m1/s1.
What are the key properties of 5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide?
5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide has a molecular weight of 382.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 163227738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).