(6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C22H29N5O3 — CID 97360919

IUPAC(6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cccc(C)n3)CC2)O1
InChIInChI=1S/C22H29N5O3/c1-4-25(5-2)20(29)18-15-27-14-11-23-21(27)22(30-18)9-12-26(13-10-22)19(28)17-8-6-7-16(3)24-17/h6-8,11,14,18H,4-5,9-10,12-13,15H2,1-3H3/t18-/m0/s1
InChIKeySBVPCHAIJGUOLT-SFHVURJKSA-N
MW411.51 g/mol
LogP1.99
Rot. Bonds4

About (6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

(6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97360919) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is (6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97360919
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name(6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cccc(C)n3)CC2)O1
InChIInChI=1S/C22H29N5O3/c1-4-25(5-2)20(29)18-15-27-14-11-23-21(27)22(30-18)9-12-26(13-10-22)19(28)17-8-6-7-16(3)24-17/h6-8,11,14,18H,4-5,9-10,12-13,15H2,1-3H3/t18-/m0/s1
InChIKeySBVPCHAIJGUOLT-SFHVURJKSA-N
XLogP1.99
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97360919) is (6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cccc(C)n3)CC2)O1.
What is the InChIKey of (6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is SBVPCHAIJGUOLT-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-4-25(5-2)20(29)18-15-27-14-11-23-21(27)22(30-18)9-12-26(13-10-22)19(28)17-8-6-7-16(3)24-17/h6-8,11,14,18H,4-5,9-10,12-13,15H2,1-3H3/t18-/m0/s1.
What are the key properties of (6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N,N-diethyl-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97360919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).