5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-carboxamide

C22H16ClF2N5O — CID 155803044

IUPAC5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2ncc(-c3ncc(-c4ccc(F)cc4)cc3Cl)cc2F)C1
InChIInChI=1S/C22H16ClF2N5O/c23-18-7-14(13-1-3-16(24)4-2-13)9-27-20(18)15-8-19(25)21(28-10-15)22(31)29-17-5-6-30(11-17)12-26/h1-4,7-10,17H,5-6,11H2,(H,29,31)/t17-/m1/s1
InChIKeyMQSLLZSRNBUQNP-QGZVFWFLSA-N
MW439.85 g/mol
LogP4.03
Rot. Bonds4

About 5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-carboxamide

5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-carboxamide (PubChem CID 155803044) has the molecular formula C22H16ClF2N5O and a molecular weight of 439.85 g/mol. Its IUPAC name is 5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-carboxamide
PubChem CID155803044
Molecular FormulaC22H16ClF2N5O
Molecular Weight439.85 g/mol
Exact Mass439.10
IUPAC Name5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2ncc(-c3ncc(-c4ccc(F)cc4)cc3Cl)cc2F)C1
InChIInChI=1S/C22H16ClF2N5O/c23-18-7-14(13-1-3-16(24)4-2-13)9-27-20(18)15-8-19(25)21(28-10-15)22(31)29-17-5-6-30(11-17)12-26/h1-4,7-10,17H,5-6,11H2,(H,29,31)/t17-/m1/s1
InChIKeyMQSLLZSRNBUQNP-QGZVFWFLSA-N
XLogP4.03
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.85
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-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

Fluopyram
CID 11158353
Befiradol
CID 9865384
(3-Chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10024776
4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)-7-chloropyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46230228
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 57403171
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-chlorophenyl)pyridine-2-carboxamide
CID 68187478
2-[(4S)-7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(1S)-1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-yl]ethyl]acetamide
CID 71533687
2-((S)-7-(3-Chlorophenyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl)-N-((S)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl)acetamide
CID 71547862
N-[(1s)-2-Amino-1-Phenylethyl]-2-[(4s)-7-(2-Fluoro-4-Pyridinyl)-1-Oxo-1,2,3,4-Tetrahydropyrrolo[1,2-A]pyrazin-4-Yl]acetamide
CID 72696912
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide;hydrochloride
CID 145968016
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[[5-(fluoromethyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10364325
N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 25189699

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-carboxamide?
The IUPAC name of 5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-carboxamide (CID 155803044) is 5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for 5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-carboxamide?
The canonical SMILES for 5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-carboxamide is N#CN1CC[C@@H](NC(=O)c2ncc(-c3ncc(-c4ccc(F)cc4)cc3Cl)cc2F)C1.
What is the InChIKey of 5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-carboxamide?
The InChIKey is MQSLLZSRNBUQNP-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H16ClF2N5O/c23-18-7-14(13-1-3-16(24)4-2-13)9-27-20(18)15-8-19(25)21(28-10-15)22(31)29-17-5-6-30(11-17)12-26/h1-4,7-10,17H,5-6,11H2,(H,29,31)/t17-/m1/s1.
What are the key properties of 5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-carboxamide?
5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-carboxamide has a molecular weight of 439.85 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 155803044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).