N-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

C19H19N3O2 — CID 126433758

IUPACN-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(-c2cnc3[nH]ccc3c2)cc1
InChIInChI=1S/C19H19N3O2/c23-19(22-12-17-2-1-9-24-17)14-5-3-13(4-6-14)16-10-15-7-8-20-18(15)21-11-16/h3-8,10-11,17H,1-2,9,12H2,(H,20,21)(H,22,23)/t17-/m1/s1
InChIKeyMLVSOVCVZXOPTJ-QGZVFWFLSA-N
MW321.38 g/mol
LogP3.14
Rot. Bonds4

About N-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

N-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 126433758) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
PubChem CID126433758
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(-c2cnc3[nH]ccc3c2)cc1
InChIInChI=1S/C19H19N3O2/c23-19(22-12-17-2-1-9-24-17)14-5-3-13(4-6-14)16-10-15-7-8-20-18(15)21-11-16/h3-8,10-11,17H,1-2,9,12H2,(H,20,21)(H,22,23)/t17-/m1/s1
InChIKeyMLVSOVCVZXOPTJ-QGZVFWFLSA-N
XLogP3.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-1H-indole-5-carboxamide
CID 63717299
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42845777
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid
CID 126437683
N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510
4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125435112
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126446000

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 126433758) is N-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is O=C(NC[C@H]1CCCO1)c1ccc(-c2cnc3[nH]ccc3c2)cc1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The InChIKey is MLVSOVCVZXOPTJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(22-12-17-2-1-9-24-17)14-5-3-13(4-6-14)16-10-15-7-8-20-18(15)21-11-16/h3-8,10-11,17H,1-2,9,12H2,(H,20,21)(H,22,23)/t17-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
N-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 126433758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).