6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide

C21H26N4O2 — CID 133342318

IUPAC6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NC3CC(=O)N(C(C)(C)C)C3)nc2)cc1
InChIInChI=1S/C21H26N4O2/c1-14-5-8-16(9-6-14)24-20(27)15-7-10-18(22-12-15)23-17-11-19(26)25(13-17)21(2,3)4/h5-10,12,17H,11,13H2,1-4H3,(H,22,23)(H,24,27)
InChIKeyQZGMLLHHPZZONR-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.45
Rot. Bonds4

About 6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide

6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 133342318) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID133342318
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NC3CC(=O)N(C(C)(C)C)C3)nc2)cc1
InChIInChI=1S/C21H26N4O2/c1-14-5-8-16(9-6-14)24-20(27)15-7-10-18(22-12-15)23-17-11-19(26)25(13-17)21(2,3)4/h5-10,12,17H,11,13H2,1-4H3,(H,22,23)(H,24,27)
InChIKeyQZGMLLHHPZZONR-UHFFFAOYSA-N
XLogP3.45
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 133383281
6-[(2,5-dioxopyrrolidin-1-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 46507746
5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid
CID 122054120
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294
6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133326827
methyl 4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876214
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003
methyl 4-[[6-(cycloheptylamino)pyridine-3-carbonyl]amino]benzoate
CID 109161045
ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
CID 109152217
N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 133306403
6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133441834
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109151369

Frequently Asked Questions

What is the IUPAC name of 6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide (CID 133342318) is 6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(NC3CC(=O)N(C(C)(C)C)C3)nc2)cc1.
What is the InChIKey of 6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is QZGMLLHHPZZONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-5-8-16(9-6-14)24-20(27)15-7-10-18(22-12-15)23-17-11-19(26)25(13-17)21(2,3)4/h5-10,12,17H,11,13H2,1-4H3,(H,22,23)(H,24,27).
What are the key properties of 6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide?
6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 133342318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).