N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C20H20N4O4 — CID 46970976

IUPACN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC1Oc2ccc(NC(=O)C3CC(=O)N(Cc4cccnc4)C3)cc2NC1=O
InChIInChI=1S/C20H20N4O4/c1-12-19(26)23-16-8-15(4-5-17(16)28-12)22-20(27)14-7-18(25)24(11-14)10-13-3-2-6-21-9-13/h2-6,8-9,12,14H,7,10-11H2,1H3,(H,22,27)(H,23,26)
InChIKeyRSIMEYRVFNAMKC-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.79
Rot. Bonds4

About N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 46970976) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID46970976
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC1Oc2ccc(NC(=O)C3CC(=O)N(Cc4cccnc4)C3)cc2NC1=O
InChIInChI=1S/C20H20N4O4/c1-12-19(26)23-16-8-15(4-5-17(16)28-12)22-20(27)14-7-18(25)24(11-14)10-13-3-2-6-21-9-13/h2-6,8-9,12,14H,7,10-11H2,1H3,(H,22,27)(H,23,26)
InChIKeyRSIMEYRVFNAMKC-UHFFFAOYSA-N
XLogP1.79
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 113184031
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide
CID 40686360
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopentanecarboxamide
CID 9145093
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-oxopyrrolidine-3-carboxamide
CID 41188983
N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 165117378
N-(oxan-4-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72863497
N-(2,4-dimethoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 113184040
(3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 26954259
N-(3-acetamidophenyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113184138
5-oxo-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 156585451

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 46970976) is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CC1Oc2ccc(NC(=O)C3CC(=O)N(Cc4cccnc4)C3)cc2NC1=O.
What is the InChIKey of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is RSIMEYRVFNAMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-12-19(26)23-16-8-15(4-5-17(16)28-12)22-20(27)14-7-18(25)24(11-14)10-13-3-2-6-21-9-13/h2-6,8-9,12,14H,7,10-11H2,1H3,(H,22,27)(H,23,26).
What are the key properties of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46970976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).