5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

C22H28N6O3 — CID 169189563

IUPAC5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCC[C@@H]1Oc2ncc(C(C)N3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2NC1=O
InChIInChI=1S/C22H28N6O3/c1-4-19-21(30)26-18-11-15(12-25-22(18)31-19)14(2)27-7-9-28(10-8-27)16-5-6-17(24-13-16)20(29)23-3/h5-6,11-14,19H,4,7-10H2,1-3H3,(H,23,29)(H,26,30)/t14?,19-/m0/s1
InChIKeyONFRXAOPVPCJRC-PKDNWHCCSA-N
MW424.51 g/mol
LogP1.83
Rot. Bonds5

About 5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 169189563) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID169189563
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Name5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCC[C@@H]1Oc2ncc(C(C)N3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2NC1=O
InChIInChI=1S/C22H28N6O3/c1-4-19-21(30)26-18-11-15(12-25-22(18)31-19)14(2)27-7-9-28(10-8-27)16-5-6-17(24-13-16)20(29)23-3/h5-6,11-14,19H,4,7-10H2,1-3H3,(H,23,29)(H,26,30)/t14?,19-/m0/s1
InChIKeyONFRXAOPVPCJRC-PKDNWHCCSA-N
XLogP1.83
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

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
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-[(3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169189566
5-[5-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide
CID 169189610
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
5-[1-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide
CID 169189769
5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide
CID 169189691
N-methyl-5-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189557
N-methyl-5-[4-[(1S)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide
CID 167845050
5-[4-[(2,4-dioxo-1H-thieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981704
5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide
CID 178132130

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 169189563) is 5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CC[C@@H]1Oc2ncc(C(C)N3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2NC1=O.
What is the InChIKey of 5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is ONFRXAOPVPCJRC-PKDNWHCCSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-4-19-21(30)26-18-11-15(12-25-22(18)31-19)14(2)27-7-9-28(10-8-27)16-5-6-17(24-13-16)20(29)23-3/h5-6,11-14,19H,4,7-10H2,1-3H3,(H,23,29)(H,26,30)/t14?,19-/m0/s1.
What are the key properties of 5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 169189563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).