N-methyl-4-(2-methyl-3-oxoimidazo[1,2-a]pyridin-1-ium-7-yl)-N-propyl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxamide

C19H22N5O3+ — CID 163670829

IUPACN-methyl-4-(2-methyl-3-oxoimidazo[1,2-a]pyridin-1-ium-7-yl)-N-propyl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxamide
SMILESCCCN(C)C(=O)c1cc2c([nH]1)N(C1=CC3=[N+]=C(C)C(=O)N3C=C1)CCO2
InChIInChI=1S/C19H21N5O3/c1-4-6-22(3)19(26)14-11-15-17(21-14)23(8-9-27-15)13-5-7-24-16(10-13)20-12(2)18(24)25/h5,7,10-11H,4,6,8-9H2,1-3H3/p+1
InChIKeyGYNCZYZEQDANFG-UHFFFAOYSA-O
MW368.42 g/mol
LogP0.88
Rot. Bonds4

About N-methyl-4-(2-methyl-3-oxoimidazo[1,2-a]pyridin-1-ium-7-yl)-N-propyl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxamide

N-methyl-4-(2-methyl-3-oxoimidazo[1,2-a]pyridin-1-ium-7-yl)-N-propyl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxamide (PubChem CID 163670829) has the molecular formula C19H22N5O3+ and a molecular weight of 368.42 g/mol. Its IUPAC name is N-methyl-4-(2-methyl-3-oxoimidazo[1,2-a]pyridin-1-ium-7-yl)-N-propyl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(2-methyl-3-oxoimidazo[1,2-a]pyridin-1-ium-7-yl)-N-propyl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxamide
PubChem CID163670829
Molecular FormulaC19H22N5O3+
Molecular Weight368.42 g/mol
Exact Mass368.17
IUPAC NameN-methyl-4-(2-methyl-3-oxoimidazo[1,2-a]pyridin-1-ium-7-yl)-N-propyl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxamide
SMILESCCCN(C)C(=O)c1cc2c([nH]1)N(C1=CC3=[N+]=C(C)C(=O)N3C=C1)CCO2
InChIInChI=1S/C19H21N5O3/c1-4-6-22(3)19(26)14-11-15-17(21-14)23(8-9-27-15)13-5-7-24-16(10-13)20-12(2)18(24)25/h5,7,10-11H,4,6,8-9H2,1-3H3/p+1
InChIKeyGYNCZYZEQDANFG-UHFFFAOYSA-O
XLogP0.88
TPSA82.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methyl-3-oxoimidazo[1,2-a]pyridin-1-ium-7-yl)-N-propyl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxamide?
The IUPAC name of N-methyl-4-(2-methyl-3-oxoimidazo[1,2-a]pyridin-1-ium-7-yl)-N-propyl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxamide (CID 163670829) is N-methyl-4-(2-methyl-3-oxoimidazo[1,2-a]pyridin-1-ium-7-yl)-N-propyl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxamide.
What is the SMILES notation for N-methyl-4-(2-methyl-3-oxoimidazo[1,2-a]pyridin-1-ium-7-yl)-N-propyl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxamide?
The canonical SMILES for N-methyl-4-(2-methyl-3-oxoimidazo[1,2-a]pyridin-1-ium-7-yl)-N-propyl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxamide is CCCN(C)C(=O)c1cc2c([nH]1)N(C1=CC3=[N+]=C(C)C(=O)N3C=C1)CCO2.
What is the InChIKey of N-methyl-4-(2-methyl-3-oxoimidazo[1,2-a]pyridin-1-ium-7-yl)-N-propyl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxamide?
The InChIKey is GYNCZYZEQDANFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N5O3/c1-4-6-22(3)19(26)14-11-15-17(21-14)23(8-9-27-15)13-5-7-24-16(10-13)20-12(2)18(24)25/h5,7,10-11H,4,6,8-9H2,1-3H3/p+1.
What are the key properties of N-methyl-4-(2-methyl-3-oxoimidazo[1,2-a]pyridin-1-ium-7-yl)-N-propyl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxamide?
N-methyl-4-(2-methyl-3-oxoimidazo[1,2-a]pyridin-1-ium-7-yl)-N-propyl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methyl-3-oxoimidazo[1,2-a]pyridin-1-ium-7-yl)-N-propyl-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 163670829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).