N-methyl-5-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide

C20H23N5O3 — CID 167954923

IUPACN-methyl-5-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide
SMILESCN(CC1CCNCC1)C(=O)c1cnc(-c2ccc3c(c2)COC(=O)N3)cn1
InChIInChI=1S/C20H23N5O3/c1-25(11-13-4-6-21-7-5-13)19(26)18-10-22-17(9-23-18)14-2-3-16-15(8-14)12-28-20(27)24-16/h2-3,8-10,13,21H,4-7,11-12H2,1H3,(H,24,27)
InChIKeyRWOSLGAKJICCCZ-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.28
Rot. Bonds4

About N-methyl-5-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide

N-methyl-5-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide (PubChem CID 167954923) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-methyl-5-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide
PubChem CID167954923
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-methyl-5-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide
SMILESCN(CC1CCNCC1)C(=O)c1cnc(-c2ccc3c(c2)COC(=O)N3)cn1
InChIInChI=1S/C20H23N5O3/c1-25(11-13-4-6-21-7-5-13)19(26)18-10-22-17(9-23-18)14-2-3-16-15(8-14)12-28-20(27)24-16/h2-3,8-10,13,21H,4-7,11-12H2,1H3,(H,24,27)
InChIKeyRWOSLGAKJICCCZ-UHFFFAOYSA-N
XLogP2.28
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-methyl-5-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide (CID 167954923) is N-methyl-5-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-5-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-5-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide is CN(CC1CCNCC1)C(=O)c1cnc(-c2ccc3c(c2)COC(=O)N3)cn1.
What is the InChIKey of N-methyl-5-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is RWOSLGAKJICCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-25(11-13-4-6-21-7-5-13)19(26)18-10-22-17(9-23-18)14-2-3-16-15(8-14)12-28-20(27)24-16/h2-3,8-10,13,21H,4-7,11-12H2,1H3,(H,24,27).
What are the key properties of N-methyl-5-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide?
N-methyl-5-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 167954923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).