N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide

C20H28N4O3 — CID 154818693

IUPACN-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H28N4O3/c25-20(15-3-4-19(21-10-15)23-5-7-26-8-6-23)22-16-9-17-13-27-18(14-1-2-14)12-24(17)11-16/h3-4,10,14,16-18H,1-2,5-9,11-13H2,(H,22,25)/t16-,17-,18+/m0/s1
InChIKeyBPHQGKBVXGINAZ-OKZBNKHCSA-N
MW372.47 g/mol
LogP0.90
Rot. Bonds4

About N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 154818693) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID154818693
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H28N4O3/c25-20(15-3-4-19(21-10-15)23-5-7-26-8-6-23)22-16-9-17-13-27-18(14-1-2-14)12-24(17)11-16/h3-4,10,14,16-18H,1-2,5-9,11-13H2,(H,22,25)/t16-,17-,18+/m0/s1
InChIKeyBPHQGKBVXGINAZ-OKZBNKHCSA-N
XLogP0.90
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide
CID 155497823
N-[(3R,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-chlorobenzamide
CID 155506929
N-(1-methylpyrrolidin-3-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 72570198
N-[(3R)-1-methylpyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 59818085
N-[(3R,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dichlorobenzamide
CID 154823870
N-[(3R,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazole-2-carboxamide
CID 155493966
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 51724704
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(methylamino)pyridine-3-carboxamide
CID 155493910
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 98786152
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,5-dimethylbenzamide
CID 155504487
cis-(1S,3R)-3-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675336
6-morpholin-4-yl-N-[(1R,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyridine-3-carboxamide
CID 39620759

Frequently Asked Questions

What is the IUPAC name of N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 154818693) is N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide is O=C(N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is BPHQGKBVXGINAZ-OKZBNKHCSA-N. The full InChI is InChI=1S/C20H28N4O3/c25-20(15-3-4-19(21-10-15)23-5-7-26-8-6-23)22-16-9-17-13-27-18(14-1-2-14)12-24(17)11-16/h3-4,10,14,16-18H,1-2,5-9,11-13H2,(H,22,25)/t16-,17-,18+/m0/s1.
What are the key properties of N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 154818693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).