6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide

C18H20N4O4 — CID 124877536

IUPAC6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C18H20N4O4/c1-12-9-15(16(22(25)26)18(24)20-12)17(23)19-10-13-7-8-21(11-13)14-5-3-2-4-6-14/h2-6,9,13H,7-8,10-11H2,1H3,(H,19,23)(H,20,24)/t13-/m1/s1
InChIKeyQWZZNMXWHNDEII-CYBMUJFWSA-N
MW356.38 g/mol
LogP1.85
Rot. Bonds5

About 6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide

6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide (PubChem CID 124877536) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide
PubChem CID124877536
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C18H20N4O4/c1-12-9-15(16(22(25)26)18(24)20-12)17(23)19-10-13-7-8-21(11-13)14-5-3-2-4-6-14/h2-6,9,13H,7-8,10-11H2,1H3,(H,19,23)(H,20,24)/t13-/m1/s1
InChIKeyQWZZNMXWHNDEII-CYBMUJFWSA-N
XLogP1.85
TPSA108.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
CID 46403357
N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95149559
2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide
CID 55678741
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
3-hydroxy-4-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 38442258
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503
4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 38442776
2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 43064994
2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640445
3-ethynyl-2-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 167781608
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
[(3R)-1-(4-nitrophenyl)pyrrolidin-3-yl]methylcarbamic acid
CID 67148678

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide?
The IUPAC name of 6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide (CID 124877536) is 6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide.
What is the SMILES notation for 6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide?
The canonical SMILES for 6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide is Cc1cc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide?
The InChIKey is QWZZNMXWHNDEII-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12-9-15(16(22(25)26)18(24)20-12)17(23)19-10-13-7-8-21(11-13)14-5-3-2-4-6-14/h2-6,9,13H,7-8,10-11H2,1H3,(H,19,23)(H,20,24)/t13-/m1/s1.
What are the key properties of 6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide?
6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide is sourced from PubChem (CID 124877536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).