N-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide

C18H21N3O2 — CID 96527176

IUPACN-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NC[C@H]2CCOC2)ccn1
InChIInChI=1S/C18H21N3O2/c22-18(21-11-14-4-2-1-3-5-14)17-10-16(6-8-19-17)20-12-15-7-9-23-13-15/h1-6,8,10,15H,7,9,11-13H2,(H,19,20)(H,21,22)/t15-/m1/s1
InChIKeyHRGAJNGGBJHLFR-OAHLLOKOSA-N
MW311.38 g/mol
LogP2.46
Rot. Bonds6

About N-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide

N-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide (PubChem CID 96527176) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide
PubChem CID96527176
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NC[C@H]2CCOC2)ccn1
InChIInChI=1S/C18H21N3O2/c22-18(21-11-14-4-2-1-3-5-14)17-10-16(6-8-19-17)20-12-15-7-9-23-13-15/h1-6,8,10,15H,7,9,11-13H2,(H,19,20)(H,21,22)/t15-/m1/s1
InChIKeyHRGAJNGGBJHLFR-OAHLLOKOSA-N
XLogP2.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide (CID 96527176) is N-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide is O=C(NCc1ccccc1)c1cc(NC[C@H]2CCOC2)ccn1.
What is the InChIKey of N-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide?
The InChIKey is HRGAJNGGBJHLFR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(21-11-14-4-2-1-3-5-14)17-10-16(6-8-19-17)20-12-15-7-9-23-13-15/h1-6,8,10,15H,7,9,11-13H2,(H,19,20)(H,21,22)/t15-/m1/s1.
What are the key properties of N-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide?
N-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 96527176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).