N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide

C21H24N4O2 — CID 50980890

IUPACN-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide
SMILESC=CCNc1ccccc1C(=O)N(Cc1ccncc1)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C21H24N4O2/c1-2-11-23-19-6-4-3-5-18(19)21(27)25(14-16-9-12-22-13-10-16)15-17-7-8-20(26)24-17/h2-6,9-10,12-13,17,23H,1,7-8,11,14-15H2,(H,24,26)/t17-/m0/s1
InChIKeyAZQYWLHWIDVMTF-KRWDZBQOSA-N
MW364.45 g/mol
LogP2.60
Rot. Bonds8

About N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide

N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 50980890) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID50980890
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide
SMILESC=CCNc1ccccc1C(=O)N(Cc1ccncc1)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C21H24N4O2/c1-2-11-23-19-6-4-3-5-18(19)21(27)25(14-16-9-12-22-13-10-16)15-17-7-8-20(26)24-17/h2-6,9-10,12-13,17,23H,1,7-8,11,14-15H2,(H,24,26)/t17-/m0/s1
InChIKeyAZQYWLHWIDVMTF-KRWDZBQOSA-N
XLogP2.60
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(oxolan-2-ylmethyl)-2-(prop-2-enylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 50984302
3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 70772054
1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 50979526
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 74247243
2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
CID 91839800
4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 91833864
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 29087477
1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea
CID 156608795
2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 70725136
(5S)-5-[[[benzyl(methyl)sulfamoyl]-(pyridin-4-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 131925449
N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide
CID 50965827
N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide
CID 50983728

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide (CID 50980890) is N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide is C=CCNc1ccccc1C(=O)N(Cc1ccncc1)C[C@@H]1CCC(=O)N1.
What is the InChIKey of N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is AZQYWLHWIDVMTF-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-11-23-19-6-4-3-5-18(19)21(27)25(14-16-9-12-22-13-10-16)15-17-7-8-20(26)24-17/h2-6,9-10,12-13,17,23H,1,7-8,11,14-15H2,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide?
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 50980890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).