5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide

C21H25N7O3 — CID 170225719

IUPAC5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide
SMILESCNC(=O)c1ncc(N2CCN(Cc3cc4c(cn3)O[C@H](C3CC3)C(=O)N4)CC2)cn1
InChIInChI=1S/C21H25N7O3/c1-22-21(30)19-24-9-15(10-25-19)28-6-4-27(5-7-28)12-14-8-16-17(11-23-14)31-18(13-2-3-13)20(29)26-16/h8-11,13,18H,2-7,12H2,1H3,(H,22,30)(H,26,29)/t18-/m1/s1
InChIKeyYHUYSKXZYMODRW-GOSISDBHSA-N
MW423.48 g/mol
LogP0.66
Rot. Bonds5

About 5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide

5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide (PubChem CID 170225719) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide
PubChem CID170225719
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC Name5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide
SMILESCNC(=O)c1ncc(N2CCN(Cc3cc4c(cn3)O[C@H](C3CC3)C(=O)N4)CC2)cn1
InChIInChI=1S/C21H25N7O3/c1-22-21(30)19-24-9-15(10-25-19)28-6-4-27(5-7-28)12-14-8-16-17(11-23-14)31-18(13-2-3-13)20(29)26-16/h8-11,13,18H,2-7,12H2,1H3,(H,22,30)(H,26,29)/t18-/m1/s1
InChIKeyYHUYSKXZYMODRW-GOSISDBHSA-N
XLogP0.66
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide with MolForge

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Related Compounds

N-methyl-5-[4-[[(2S)-3-oxo-2-propyl-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189750
N-methyl-5-[4-[(3-oxo-2-propyl-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189640
5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169189739
2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide
CID 174200532
N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide
CID 66716807
N-methyl-5-[4-[(3-oxospiro[4H-1,4-benzoxazine-2,3'-oxetane]-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189761
N-methyl-5-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189557
6-[4-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide
CID 169189611
N-(1-bicyclo[1.1.1]pentanyl)-5-[4-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189638
N-methyl-4-[4-[(2-methyl-3-oxo-8-phenyl-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide
CID 66716943
5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide
CID 169149196
N-methyl-6-[4-[[(6S)-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 58324370

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide?
The IUPAC name of 5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide (CID 170225719) is 5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide.
What is the SMILES notation for 5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide?
The canonical SMILES for 5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide is CNC(=O)c1ncc(N2CCN(Cc3cc4c(cn3)O[C@H](C3CC3)C(=O)N4)CC2)cn1.
What is the InChIKey of 5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide?
The InChIKey is YHUYSKXZYMODRW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N7O3/c1-22-21(30)19-24-9-15(10-25-19)28-6-4-27(5-7-28)12-14-8-16-17(11-23-14)31-18(13-2-3-13)20(29)26-16/h8-11,13,18H,2-7,12H2,1H3,(H,22,30)(H,26,29)/t18-/m1/s1.
What are the key properties of 5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide?
5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide is sourced from PubChem (CID 170225719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).