4-tert-butyl-N-[5-[6-(methylamino)-2-pyridinyl]-2-oxopyrrol-3-yl]benzamide

C21H22N4O2 — CID 147582681

IUPAC4-tert-butyl-N-[5-[6-(methylamino)-2-pyridinyl]-2-oxopyrrol-3-yl]benzamide
SMILESCNc1cccc(C2=NC(=O)C(NC(=O)c3ccc(C(C)(C)C)cc3)=C2)n1
InChIInChI=1S/C21H22N4O2/c1-21(2,3)14-10-8-13(9-11-14)19(26)25-17-12-16(24-20(17)27)15-6-5-7-18(22-4)23-15/h5-12H,1-4H3,(H,22,23)(H,24,25,26,27)
InChIKeyFWSUVDULXUSKML-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.06
Rot. Bonds4

About 4-tert-butyl-N-[5-[6-(methylamino)-2-pyridinyl]-2-oxopyrrol-3-yl]benzamide

4-tert-butyl-N-[5-[6-(methylamino)-2-pyridinyl]-2-oxopyrrol-3-yl]benzamide (PubChem CID 147582681) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-[6-(methylamino)-2-pyridinyl]-2-oxopyrrol-3-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-[6-(methylamino)-2-pyridinyl]-2-oxopyrrol-3-yl]benzamide
PubChem CID147582681
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-tert-butyl-N-[5-[6-(methylamino)-2-pyridinyl]-2-oxopyrrol-3-yl]benzamide
SMILESCNc1cccc(C2=NC(=O)C(NC(=O)c3ccc(C(C)(C)C)cc3)=C2)n1
InChIInChI=1S/C21H22N4O2/c1-21(2,3)14-10-8-13(9-11-14)19(26)25-17-12-16(24-20(17)27)15-6-5-7-18(22-4)23-15/h5-12H,1-4H3,(H,22,23)(H,24,25,26,27)
InChIKeyFWSUVDULXUSKML-UHFFFAOYSA-N
XLogP3.06
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide
CID 58205176
N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62239245
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-(6-phenyl-2-pyridinyl)benzamide
CID 24949410
N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide
CID 102532473
4-tert-butyl-N-(5-methylimidazo[1,2-a]pyridin-2-yl)benzamide;hydrochloride
CID 68661288
5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 17361859
4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 58205174
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59175370

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-[6-(methylamino)-2-pyridinyl]-2-oxopyrrol-3-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[5-[6-(methylamino)-2-pyridinyl]-2-oxopyrrol-3-yl]benzamide (CID 147582681) is 4-tert-butyl-N-[5-[6-(methylamino)-2-pyridinyl]-2-oxopyrrol-3-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[5-[6-(methylamino)-2-pyridinyl]-2-oxopyrrol-3-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[5-[6-(methylamino)-2-pyridinyl]-2-oxopyrrol-3-yl]benzamide is CNc1cccc(C2=NC(=O)C(NC(=O)c3ccc(C(C)(C)C)cc3)=C2)n1.
What is the InChIKey of 4-tert-butyl-N-[5-[6-(methylamino)-2-pyridinyl]-2-oxopyrrol-3-yl]benzamide?
The InChIKey is FWSUVDULXUSKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-21(2,3)14-10-8-13(9-11-14)19(26)25-17-12-16(24-20(17)27)15-6-5-7-18(22-4)23-15/h5-12H,1-4H3,(H,22,23)(H,24,25,26,27).
What are the key properties of 4-tert-butyl-N-[5-[6-(methylamino)-2-pyridinyl]-2-oxopyrrol-3-yl]benzamide?
4-tert-butyl-N-[5-[6-(methylamino)-2-pyridinyl]-2-oxopyrrol-3-yl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-[6-(methylamino)-2-pyridinyl]-2-oxopyrrol-3-yl]benzamide is sourced from PubChem (CID 147582681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).