N-methyl-N-[(3S)-1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide

C18H26N4O3 — CID 139351366

IUPACN-methyl-N-[(3S)-1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)OC[C@H](C(C)C)N3)C1
InChIInChI=1S/C18H26N4O3/c1-11(2)15-10-25-16-7-13(8-19-17(16)20-15)18(24)22-6-5-14(9-22)21(4)12(3)23/h7-8,11,14-15H,5-6,9-10H2,1-4H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyUQTZZKNJNZNPBW-LSDHHAIUSA-N
MW346.43 g/mol
LogP1.60
Rot. Bonds3

About N-methyl-N-[(3S)-1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide

N-methyl-N-[(3S)-1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 139351366) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID139351366
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-methyl-N-[(3S)-1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)OC[C@H](C(C)C)N3)C1
InChIInChI=1S/C18H26N4O3/c1-11(2)15-10-25-16-7-13(8-19-17(16)20-15)18(24)22-6-5-14(9-22)21(4)12(3)23/h7-8,11,14-15H,5-6,9-10H2,1-4H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyUQTZZKNJNZNPBW-LSDHHAIUSA-N
XLogP1.60
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(3S)-1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide (CID 139351366) is N-methyl-N-[(3S)-1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(3S)-1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide is CC(=O)N(C)[C@H]1CCN(C(=O)c2cnc3c(c2)OC[C@H](C(C)C)N3)C1.
What is the InChIKey of N-methyl-N-[(3S)-1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is UQTZZKNJNZNPBW-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-11(2)15-10-25-16-7-13(8-19-17(16)20-15)18(24)22-6-5-14(9-22)21(4)12(3)23/h7-8,11,14-15H,5-6,9-10H2,1-4H3,(H,19,20)/t14-,15+/m0/s1.
What are the key properties of N-methyl-N-[(3S)-1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide?
N-methyl-N-[(3S)-1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 139351366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).