N-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide

C17H15FN4O2 — CID 75410908

IUPACN-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NC[C@H]1COCc2nc3cc(F)ccc3n21)c1ccccn1
InChIInChI=1S/C17H15FN4O2/c18-11-4-5-15-14(7-11)21-16-10-24-9-12(22(15)16)8-20-17(23)13-3-1-2-6-19-13/h1-7,12H,8-10H2,(H,20,23)/t12-/m0/s1
InChIKeyNBVMPLFNNLVMBI-LBPRGKRZSA-N
MW326.33 g/mol
LogP2.07
Rot. Bonds3

About N-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide

N-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide (PubChem CID 75410908) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide
PubChem CID75410908
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC NameN-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NC[C@H]1COCc2nc3cc(F)ccc3n21)c1ccccn1
InChIInChI=1S/C17H15FN4O2/c18-11-4-5-15-14(7-11)21-16-10-24-9-12(22(15)16)8-20-17(23)13-3-1-2-6-19-13/h1-7,12H,8-10H2,(H,20,23)/t12-/m0/s1
InChIKeyNBVMPLFNNLVMBI-LBPRGKRZSA-N
XLogP2.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide
CID 162798393
N-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 75410913
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzamide
CID 163032802
N-[(8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]-2-phenylacetamide
CID 162798471
4-[[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methylamino]methyl]benzoic acid
CID 75411132
methyl (4S)-4-[[(4-chlorobenzoyl)amino]methyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxylate
CID 75410920
1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]methanamine
CID 162994637
2-methoxy-N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]benzamide
CID 75410842
1-ethyl-3-[[(4S)-8-methylsulfonyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea
CID 75410984
N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide
CID 155996114
4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide
CID 162854652
methyl 4-[(oxan-4-ylamino)methyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxylate
CID 162797882

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide (CID 75410908) is N-[[(4S)-8-fluoro-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)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide is O=C(NC[C@H]1COCc2nc3cc(F)ccc3n21)c1ccccn1.
What is the InChIKey of N-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide?
The InChIKey is NBVMPLFNNLVMBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-11-4-5-15-14(7-11)21-16-10-24-9-12(22(15)16)8-20-17(23)13-3-1-2-6-19-13/h1-7,12H,8-10H2,(H,20,23)/t12-/m0/s1.
What are the key properties of N-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide?
N-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 75410908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).