(3R)-N,N,4-trimethyl-3-[2-oxo-2-[(6-oxo-1H-pyrimidin-4-yl)methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide

C19H23N5O4 — CID 136842300

IUPAC(3R)-N,N,4-trimethyl-3-[2-oxo-2-[(6-oxo-1H-pyrimidin-4-yl)methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1cc(=O)[nH]cn1)CO2
InChIInChI=1S/C19H23N5O4/c1-23(2)19(27)12-4-5-16-15(6-12)24(3)14(10-28-16)8-18(26)20-9-13-7-17(25)22-11-21-13/h4-7,11,14H,8-10H2,1-3H3,(H,20,26)(H,21,22,25)/t14-/m1/s1
InChIKeyMKFDVWGTPWKRDG-CQSZACIVSA-N
MW385.42 g/mol
LogP0.38
Rot. Bonds5

About (3R)-N,N,4-trimethyl-3-[2-oxo-2-[(6-oxo-1H-pyrimidin-4-yl)methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide

(3R)-N,N,4-trimethyl-3-[2-oxo-2-[(6-oxo-1H-pyrimidin-4-yl)methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide (PubChem CID 136842300) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is (3R)-N,N,4-trimethyl-3-[2-oxo-2-[(6-oxo-1H-pyrimidin-4-yl)methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name(3R)-N,N,4-trimethyl-3-[2-oxo-2-[(6-oxo-1H-pyrimidin-4-yl)methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
PubChem CID136842300
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name(3R)-N,N,4-trimethyl-3-[2-oxo-2-[(6-oxo-1H-pyrimidin-4-yl)methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1cc(=O)[nH]cn1)CO2
InChIInChI=1S/C19H23N5O4/c1-23(2)19(27)12-4-5-16-15(6-12)24(3)14(10-28-16)8-18(26)20-9-13-7-17(25)22-11-21-13/h4-7,11,14H,8-10H2,1-3H3,(H,20,26)(H,21,22,25)/t14-/m1/s1
InChIKeyMKFDVWGTPWKRDG-CQSZACIVSA-N
XLogP0.38
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N,4-trimethyl-3-[2-oxo-2-[(6-oxo-1H-pyrimidin-4-yl)methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The IUPAC name of (3R)-N,N,4-trimethyl-3-[2-oxo-2-[(6-oxo-1H-pyrimidin-4-yl)methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide (CID 136842300) is (3R)-N,N,4-trimethyl-3-[2-oxo-2-[(6-oxo-1H-pyrimidin-4-yl)methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for (3R)-N,N,4-trimethyl-3-[2-oxo-2-[(6-oxo-1H-pyrimidin-4-yl)methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for (3R)-N,N,4-trimethyl-3-[2-oxo-2-[(6-oxo-1H-pyrimidin-4-yl)methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide is CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1cc(=O)[nH]cn1)CO2.
What is the InChIKey of (3R)-N,N,4-trimethyl-3-[2-oxo-2-[(6-oxo-1H-pyrimidin-4-yl)methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The InChIKey is MKFDVWGTPWKRDG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-23(2)19(27)12-4-5-16-15(6-12)24(3)14(10-28-16)8-18(26)20-9-13-7-17(25)22-11-21-13/h4-7,11,14H,8-10H2,1-3H3,(H,20,26)(H,21,22,25)/t14-/m1/s1.
What are the key properties of (3R)-N,N,4-trimethyl-3-[2-oxo-2-[(6-oxo-1H-pyrimidin-4-yl)methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
(3R)-N,N,4-trimethyl-3-[2-oxo-2-[(6-oxo-1H-pyrimidin-4-yl)methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N,4-trimethyl-3-[2-oxo-2-[(6-oxo-1H-pyrimidin-4-yl)methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 136842300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).