N-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C22H29N5O3 — CID 131662705

IUPACN-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCc1ncccc1NC(=O)C1Cn2ccnc2C2(CCN(CC3CCOC3)CC2)O1
InChIInChI=1S/C22H29N5O3/c1-16-18(3-2-7-23-16)25-20(28)19-14-27-11-8-24-21(27)22(30-19)5-9-26(10-6-22)13-17-4-12-29-15-17/h2-3,7-8,11,17,19H,4-6,9-10,12-15H2,1H3,(H,25,28)
InChIKeyZJLSMBUEIBGKPD-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.95
Rot. Bonds4

About N-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

N-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 131662705) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID131662705
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC NameN-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCc1ncccc1NC(=O)C1Cn2ccnc2C2(CCN(CC3CCOC3)CC2)O1
InChIInChI=1S/C22H29N5O3/c1-16-18(3-2-7-23-16)25-20(28)19-14-27-11-8-24-21(27)22(30-19)5-9-26(10-6-22)13-17-4-12-29-15-17/h2-3,7-8,11,17,19H,4-6,9-10,12-15H2,1H3,(H,25,28)
InChIKeyZJLSMBUEIBGKPD-UHFFFAOYSA-N
XLogP1.95
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of N-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 131662705) is N-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for N-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for N-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is Cc1ncccc1NC(=O)C1Cn2ccnc2C2(CCN(CC3CCOC3)CC2)O1.
What is the InChIKey of N-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is ZJLSMBUEIBGKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-16-18(3-2-7-23-16)25-20(28)19-14-27-11-8-24-21(27)22(30-19)5-9-26(10-6-22)13-17-4-12-29-15-17/h2-3,7-8,11,17,19H,4-6,9-10,12-15H2,1H3,(H,25,28).
What are the key properties of N-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
N-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)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 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyridinyl)-1'-(oxolan-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 131662705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).