N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-4-carboxamide

C18H18N4O2 — CID 75410836

IUPACN-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-4-carboxamide
SMILESCc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1ccncc1)COC3
InChIInChI=1S/C18H18N4O2/c1-12-2-3-15-16(8-12)22-14(10-24-11-17(22)21-15)9-20-18(23)13-4-6-19-7-5-13/h2-8,14H,9-11H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeySMOMMRQFWDVFJB-AWEZNQCLSA-N
MW322.37 g/mol
LogP2.24
Rot. Bonds3

About N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-4-carboxamide

N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-4-carboxamide (PubChem CID 75410836) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-4-carboxamide
PubChem CID75410836
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-4-carboxamide
SMILESCc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1ccncc1)COC3
InChIInChI=1S/C18H18N4O2/c1-12-2-3-15-16(8-12)22-14(10-24-11-17(22)21-15)9-20-18(23)13-4-6-19-7-5-13/h2-8,14H,9-11H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeySMOMMRQFWDVFJB-AWEZNQCLSA-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)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-4-carboxamide (CID 75410836) is N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-4-carboxamide is Cc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1ccncc1)COC3.
What is the InChIKey of N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-4-carboxamide?
The InChIKey is SMOMMRQFWDVFJB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-2-3-15-16(8-12)22-14(10-24-11-17(22)21-15)9-20-18(23)13-4-6-19-7-5-13/h2-8,14H,9-11H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-4-carboxamide?
N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-4-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)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 75410836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).