N-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide

C18H18N4O3 — CID 75410876

IUPACN-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc2c(c1)nc1n2[C@@H](CNC(=O)c2cccnc2)COC1
InChIInChI=1S/C18H18N4O3/c1-24-14-4-5-16-15(7-14)21-17-11-25-10-13(22(16)17)9-20-18(23)12-3-2-6-19-8-12/h2-8,13H,9-11H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyDNPGWPYQJFGCMW-ZDUSSCGKSA-N
MW338.37 g/mol
LogP1.94
Rot. Bonds4

About N-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide

N-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 75410876) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide
PubChem CID75410876
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc2c(c1)nc1n2[C@@H](CNC(=O)c2cccnc2)COC1
InChIInChI=1S/C18H18N4O3/c1-24-14-4-5-16-15(7-14)21-17-11-25-10-13(22(16)17)9-20-18(23)12-3-2-6-19-8-12/h2-8,13H,9-11H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyDNPGWPYQJFGCMW-ZDUSSCGKSA-N
XLogP1.94
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide (CID 75410876) is N-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide is COc1ccc2c(c1)nc1n2[C@@H](CNC(=O)c2cccnc2)COC1.
What is the InChIKey of N-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is DNPGWPYQJFGCMW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-14-4-5-16-15(7-14)21-17-11-25-10-13(22(16)17)9-20-18(23)12-3-2-6-19-8-12/h2-8,13H,9-11H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of N-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide?
N-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 75410876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).