N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide

C22H22FN5O — CID 110252150

IUPACN-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1c1ccc(Nc2ccccn2)cn1)Nc1ccc(F)cc1
InChIInChI=1S/C22H22FN5O/c23-16-6-8-17(9-7-16)27-22(29)15-28-13-3-4-20(28)19-11-10-18(14-25-19)26-21-5-1-2-12-24-21/h1-2,5-12,14,20H,3-4,13,15H2,(H,24,26)(H,27,29)
InChIKeyYVKHUDVAVOFRPR-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.13
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide

N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide (PubChem CID 110252150) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
PubChem CID110252150
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC NameN-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1c1ccc(Nc2ccccn2)cn1)Nc1ccc(F)cc1
InChIInChI=1S/C22H22FN5O/c23-16-6-8-17(9-7-16)27-22(29)15-28-13-3-4-20(28)19-11-10-18(14-25-19)26-21-5-1-2-12-24-21/h1-2,5-12,14,20H,3-4,13,15H2,(H,24,26)(H,27,29)
InChIKeyYVKHUDVAVOFRPR-UHFFFAOYSA-N
XLogP4.13
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide 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-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110252151
2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 95813297
N-(4-methoxyphenyl)-2-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95832590
N-(4-methoxyphenyl)-2-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95832591
pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813329
2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95813317
2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 110252149
2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 95813466
2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 92616809
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813369
cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813574
N-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide
CID 124752690

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide (CID 110252150) is N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide is O=C(CN1CCCC1c1ccc(Nc2ccccn2)cn1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The InChIKey is YVKHUDVAVOFRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c23-16-6-8-17(9-7-16)27-22(29)15-28-13-3-4-20(28)19-11-10-18(14-25-19)26-21-5-1-2-12-24-21/h1-2,5-12,14,20H,3-4,13,15H2,(H,24,26)(H,27,29).
What are the key properties of N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide has a molecular weight of 391.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 110252150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).