N-[[(4S)-9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide

C18H18N4O2 — CID 75411012

IUPACN-[[(4S)-9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide
SMILESCc1cccc2c1nc1n2[C@@H](CNC(=O)c2ccccn2)COC1
InChIInChI=1S/C18H18N4O2/c1-12-5-4-7-15-17(12)21-16-11-24-10-13(22(15)16)9-20-18(23)14-6-2-3-8-19-14/h2-8,13H,9-11H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyNEWXCUNMEHBLMY-ZDUSSCGKSA-N
MW322.37 g/mol
LogP2.24
Rot. Bonds3

About N-[[(4S)-9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide

N-[[(4S)-9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide (PubChem CID 75411012) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[[(4S)-9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(4S)-9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide
PubChem CID75411012
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[[(4S)-9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide
SMILESCc1cccc2c1nc1n2[C@@H](CNC(=O)c2ccccn2)COC1
InChIInChI=1S/C18H18N4O2/c1-12-5-4-7-15-17(12)21-16-11-24-10-13(22(15)16)9-20-18(23)14-6-2-3-8-19-14/h2-8,13H,9-11H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyNEWXCUNMEHBLMY-ZDUSSCGKSA-N
XLogP2.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[(4S)-9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide (CID 75411012) is N-[[(4S)-9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[(4S)-9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[(4S)-9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide is Cc1cccc2c1nc1n2[C@@H](CNC(=O)c2ccccn2)COC1.
What is the InChIKey of N-[[(4S)-9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide?
The InChIKey is NEWXCUNMEHBLMY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-5-4-7-15-17(12)21-16-11-24-10-13(22(15)16)9-20-18(23)14-6-2-3-8-19-14/h2-8,13H,9-11H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of N-[[(4S)-9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide?
N-[[(4S)-9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-9-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 75411012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).