N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide

C22H26N4O3 — CID 108926307

IUPACN-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)Nc2cccc(CNC(=O)c3cccnc3)c2)CC1=O
InChIInChI=1S/C22H26N4O3/c1-22(2,3)26-14-17(11-19(26)27)21(29)25-18-8-4-6-15(10-18)12-24-20(28)16-7-5-9-23-13-16/h4-10,13,17H,11-12,14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyIXXZHMQJCIAWQO-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.60
Rot. Bonds5

About N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide

N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108926307) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108926307
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)Nc2cccc(CNC(=O)c3cccnc3)c2)CC1=O
InChIInChI=1S/C22H26N4O3/c1-22(2,3)26-14-17(11-19(26)27)21(29)25-18-8-4-6-15(10-18)12-24-20(28)16-7-5-9-23-13-16/h4-10,13,17H,11-12,14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyIXXZHMQJCIAWQO-UHFFFAOYSA-N
XLogP2.60
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 17081125
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17118953
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926249
[3-[[3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929042
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 30342481
N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926378
N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926549
N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide
CID 125170870
(3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92613351

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide (CID 108926307) is N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide is CC(C)(C)N1CC(C(=O)Nc2cccc(CNC(=O)c3cccnc3)c2)CC1=O.
What is the InChIKey of N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is IXXZHMQJCIAWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-22(2,3)26-14-17(11-19(26)27)21(29)25-18-8-4-6-15(10-18)12-24-20(28)16-7-5-9-23-13-16/h4-10,13,17H,11-12,14H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).