N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

C19H24N4O3 — CID 139351328

IUPACN-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cnc3c(c2)OCC2(CC2)N3)C1
InChIInChI=1S/C19H24N4O3/c1-22(17(24)12-2-3-12)14-4-7-23(10-14)18(25)13-8-15-16(20-9-13)21-19(5-6-19)11-26-15/h8-9,12,14H,2-7,10-11H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyANLKTPOLBVUNAL-AWEZNQCLSA-N
MW356.43 g/mol
LogP1.50
Rot. Bonds3

About N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 139351328) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID139351328
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cnc3c(c2)OCC2(CC2)N3)C1
InChIInChI=1S/C19H24N4O3/c1-22(17(24)12-2-3-12)14-4-7-23(10-14)18(25)13-8-15-16(20-9-13)21-19(5-6-19)11-26-15/h8-9,12,14H,2-7,10-11H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyANLKTPOLBVUNAL-AWEZNQCLSA-N
XLogP1.50
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide
CID 146430126
N-methyl-N-[(3S)-1-[(7S)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 146430206
N-[(3S)-1-(3,3-dimethyl-4,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-8-carbonyl)pyrrolidin-3-yl]-N-methylacetamide
CID 139351335
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide
CID 146637375
N-methyl-N-[(3S)-1-[6-[(1-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 146592628
N-methyl-N-[(3S)-1-(7-methyl-7-phenyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 146430205
N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 155392212
N-methyl-N-[1-(2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]acetamide
CID 146436304
7-methylspiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]
CID 139351318
N-[(3S)-1-[2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146430085
1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 60637345
methyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate
CID 142494934

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 139351328) is N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is CN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cnc3c(c2)OCC2(CC2)N3)C1.
What is the InChIKey of N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is ANLKTPOLBVUNAL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22(17(24)12-2-3-12)14-4-7-23(10-14)18(25)13-8-15-16(20-9-13)21-19(5-6-19)11-26-15/h8-9,12,14H,2-7,10-11H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.50, 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-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 139351328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).