molecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide

C12H21N3O2 — CID 171489904

IUPACmolecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(CNC[C@H]2CCCO2)cn1.[H][H].[H][H]
InChIInChI=1S/C12H17N3O2.2H2/c13-12(16)11-4-3-9(7-15-11)6-14-8-10-2-1-5-17-10;;/h3-4,7,10,14H,1-2,5-6,8H2,(H2,13,16);2*1H/t10-;;/m1../s1
InChIKeyQRYRSSQMGGLFOG-YQFADDPSSA-N
MW239.32 g/mol
LogP0.94
Rot. Bonds5

About molecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide

molecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide (PubChem CID 171489904) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is molecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Namemolecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide
PubChem CID171489904
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Namemolecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(CNC[C@H]2CCCO2)cn1.[H][H].[H][H]
InChIInChI=1S/C12H17N3O2.2H2/c13-12(16)11-4-3-9(7-15-11)6-14-8-10-2-1-5-17-10;;/h3-4,7,10,14H,1-2,5-6,8H2,(H2,13,16);2*1H/t10-;;/m1../s1
InChIKeyQRYRSSQMGGLFOG-YQFADDPSSA-N
XLogP0.94
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze molecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(cyclopentylamino)methyl]pyridine-2-carboxamide
CID 115685055
N-[(6-chloro-3-pyridinyl)methyl]-1-(oxan-2-yl)methanamine
CID 115683652
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
N-[[4-(chloromethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 107232896
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide
CID 54949437
N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 143173982
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54797689
4-[[[(2S)-oxolan-2-yl]methylamino]methyl]benzonitrile
CID 1439821
N,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide?
The IUPAC name of molecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide (CID 171489904) is molecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for molecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide?
The canonical SMILES for molecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide is NC(=O)c1ccc(CNC[C@H]2CCCO2)cn1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide?
The InChIKey is QRYRSSQMGGLFOG-YQFADDPSSA-N. The full InChI is InChI=1S/C12H17N3O2.2H2/c13-12(16)11-4-3-9(7-15-11)6-14-8-10-2-1-5-17-10;;/h3-4,7,10,14H,1-2,5-6,8H2,(H2,13,16);2*1H/t10-;;/m1../s1.
What are the key properties of molecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide?
molecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;5-[[[(2R)-oxolan-2-yl]methylamino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 171489904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).