formic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C19H25N3O4 — CID 171686617

IUPACformic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2cc(N3CCCC3=O)ccc2C)CC1.O=CO
InChIInChI=1S/C18H23N3O2.CH2O2/c1-13-7-10-20(11-8-13)18(23)19-16-12-15(6-5-14(16)2)21-9-3-4-17(21)22;2-1-3/h5-7,12H,3-4,8-11H2,1-2H3,(H,19,23);1H,(H,2,3)
InChIKeyPYZOSMGTCCQVOX-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.01
Rot. Bonds2

About formic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

formic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 171686617) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is formic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Nameformic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID171686617
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nameformic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2cc(N3CCCC3=O)ccc2C)CC1.O=CO
InChIInChI=1S/C18H23N3O2.CH2O2/c1-13-7-10-20(11-8-13)18(23)19-16-12-15(6-5-14(16)2)21-9-3-4-17(21)22;2-1-3/h5-7,12H,3-4,8-11H2,1-2H3,(H,19,23);1H,(H,2,3)
InChIKeyPYZOSMGTCCQVOX-UHFFFAOYSA-N
XLogP3.01
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of formic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 171686617) is formic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for formic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for formic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is CC1=CCN(C(=O)Nc2cc(N3CCCC3=O)ccc2C)CC1.O=CO.
What is the InChIKey of formic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is PYZOSMGTCCQVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.CH2O2/c1-13-7-10-20(11-8-13)18(23)19-16-12-15(6-5-14(16)2)21-9-3-4-17(21)22;2-1-3/h5-7,12H,3-4,8-11H2,1-2H3,(H,19,23);1H,(H,2,3).
What are the key properties of formic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
formic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 171686617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).