6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide

C20H22N4O2 — CID 133345456

IUPAC6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NCc2ccc(N3CCCC3=O)cc2)nc1
InChIInChI=1S/C20H22N4O2/c1-2-11-21-20(26)16-7-10-18(23-14-16)22-13-15-5-8-17(9-6-15)24-12-3-4-19(24)25/h2,5-10,14H,1,3-4,11-13H2,(H,21,26)(H,22,23)
InChIKeyDFDLTHYREKSYLW-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.74
Rot. Bonds7

About 6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide

6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133345456) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133345456
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NCc2ccc(N3CCCC3=O)cc2)nc1
InChIInChI=1S/C20H22N4O2/c1-2-11-21-20(26)16-7-10-18(23-14-16)22-13-15-5-8-17(9-6-15)24-12-3-4-19(24)25/h2,5-10,14H,1,3-4,11-13H2,(H,21,26)(H,22,23)
InChIKeyDFDLTHYREKSYLW-UHFFFAOYSA-N
XLogP2.74
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.74
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

4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46399286
2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-prop-2-enylguanidine
CID 110982059
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133302745
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[4,5-b]pyridine-6-carboxamide
CID 163310988
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 50944989
1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 137344435
4-(1,3,4-oxadiazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589526
4-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 17454034
1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36521056
5-hydroxy-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 75370768

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide (CID 133345456) is 6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(NCc2ccc(N3CCCC3=O)cc2)nc1.
What is the InChIKey of 6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is DFDLTHYREKSYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-11-21-20(26)16-7-10-18(23-14-16)22-13-15-5-8-17(9-6-15)24-12-3-4-19(24)25/h2,5-10,14H,1,3-4,11-13H2,(H,21,26)(H,22,23).
What are the key properties of 6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide?
6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133345456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).