N-[4-[[amino(phenyl)methylidene]amino]-2-methyl-4-oxobutan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide

C22H25N5O3 — CID 123730313

IUPACN-[4-[[amino(phenyl)methylidene]amino]-2-methyl-4-oxobutan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide
SMILESCC(C)(CC(=O)/N=C(\N)c1ccccc1)NC(=O)c1cccc(N2CCCC2=O)n1
InChIInChI=1S/C22H25N5O3/c1-22(2,14-18(28)25-20(23)15-8-4-3-5-9-15)26-21(30)16-10-6-11-17(24-16)27-13-7-12-19(27)29/h3-6,8-11H,7,12-14H2,1-2H3,(H,26,30)(H2,23,25,28)
InChIKeyCBDGOSZEZFNWRY-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.04
Rot. Bonds6

About N-[4-[[amino(phenyl)methylidene]amino]-2-methyl-4-oxobutan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide

N-[4-[[amino(phenyl)methylidene]amino]-2-methyl-4-oxobutan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide (PubChem CID 123730313) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[4-[[amino(phenyl)methylidene]amino]-2-methyl-4-oxobutan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[amino(phenyl)methylidene]amino]-2-methyl-4-oxobutan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide
PubChem CID123730313
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[4-[[amino(phenyl)methylidene]amino]-2-methyl-4-oxobutan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide
SMILESCC(C)(CC(=O)/N=C(\N)c1ccccc1)NC(=O)c1cccc(N2CCCC2=O)n1
InChIInChI=1S/C22H25N5O3/c1-22(2,14-18(28)25-20(23)15-8-4-3-5-9-15)26-21(30)16-10-6-11-17(24-16)27-13-7-12-19(27)29/h3-6,8-11H,7,12-14H2,1-2H3,(H,26,30)(H2,23,25,28)
InChIKeyCBDGOSZEZFNWRY-UHFFFAOYSA-N
XLogP2.04
TPSA117.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 142348344
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6-amino-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 71114856
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262
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CID 144688411
(2-benzamido-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952883
N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46414391
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 166608825
6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 84574378
4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide
CID 790502
N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide
CID 114295056

Frequently Asked Questions

What is the IUPAC name of N-[4-[[amino(phenyl)methylidene]amino]-2-methyl-4-oxobutan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[[amino(phenyl)methylidene]amino]-2-methyl-4-oxobutan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide (CID 123730313) is N-[4-[[amino(phenyl)methylidene]amino]-2-methyl-4-oxobutan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[amino(phenyl)methylidene]amino]-2-methyl-4-oxobutan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[amino(phenyl)methylidene]amino]-2-methyl-4-oxobutan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide is CC(C)(CC(=O)/N=C(\N)c1ccccc1)NC(=O)c1cccc(N2CCCC2=O)n1.
What is the InChIKey of N-[4-[[amino(phenyl)methylidene]amino]-2-methyl-4-oxobutan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide?
The InChIKey is CBDGOSZEZFNWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-22(2,14-18(28)25-20(23)15-8-4-3-5-9-15)26-21(30)16-10-6-11-17(24-16)27-13-7-12-19(27)29/h3-6,8-11H,7,12-14H2,1-2H3,(H,26,30)(H2,23,25,28).
What are the key properties of N-[4-[[amino(phenyl)methylidene]amino]-2-methyl-4-oxobutan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide?
N-[4-[[amino(phenyl)methylidene]amino]-2-methyl-4-oxobutan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[amino(phenyl)methylidene]amino]-2-methyl-4-oxobutan-2-yl]-6-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 123730313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).