[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone

C20H22N4O — CID 166237298

IUPAC[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCC2)ccc1NCc1ccnc2[nH]ccc12
InChIInChI=1S/C20H22N4O/c1-14-12-15(20(25)24-10-2-3-11-24)4-5-18(14)23-13-16-6-8-21-19-17(16)7-9-22-19/h4-9,12,23H,2-3,10-11,13H2,1H3,(H,21,22)
InChIKeyLHKKNLGKOWACTQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.72
Rot. Bonds4

About [3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone

[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 166237298) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is [3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID166237298
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCC2)ccc1NCc1ccnc2[nH]ccc12
InChIInChI=1S/C20H22N4O/c1-14-12-15(20(25)24-10-2-3-11-24)4-5-18(14)23-13-16-6-8-21-19-17(16)7-9-22-19/h4-9,12,23H,2-3,10-11,13H2,1H3,(H,21,22)
InChIKeyLHKKNLGKOWACTQ-UHFFFAOYSA-N
XLogP3.72
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone 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

azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
CID 63209492
1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone
CID 71934936
N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166231513
[2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone
CID 134710185
[4-(5-hydroxypentylamino)-3-methylphenyl]-pyrrolidin-1-ylmethanone
CID 111770378
[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone
CID 52810003
2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone
CID 166189789
3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166205015
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 176903588
azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone
CID 109210082
2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521757
[4-[[(2-chloro-4-pyridinyl)amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 133373184

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone (CID 166237298) is [3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone is Cc1cc(C(=O)N2CCCC2)ccc1NCc1ccnc2[nH]ccc12.
What is the InChIKey of [3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is LHKKNLGKOWACTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-12-15(20(25)24-10-2-3-11-24)4-5-18(14)23-13-16-6-8-21-19-17(16)7-9-22-19/h4-9,12,23H,2-3,10-11,13H2,1H3,(H,21,22).
What are the key properties of [3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone?
[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 334.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 166237298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).