sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid

C12H19N2NaO2 — CID 173402275

IUPACsodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
SMILESCN(CCCCC(=O)O)Cc1cccnc1.[H-].[Na+]
InChIInChI=1S/C12H18N2O2.Na.H/c1-14(8-3-2-6-12(15)16)10-11-5-4-7-13-9-11;;/h4-5,7,9H,2-3,6,8,10H2,1H3,(H,15,16);;/q;+1;-1
InChIKeyOSWYVRCKXNYSMQ-UHFFFAOYSA-N
MW246.29 g/mol
LogP-1.12
Rot. Bonds7

About sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid

sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid (PubChem CID 173402275) has the molecular formula C12H19N2NaO2 and a molecular weight of 246.29 g/mol. Its IUPAC name is sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Namesodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
PubChem CID173402275
Molecular FormulaC12H19N2NaO2
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Namesodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
SMILESCN(CCCCC(=O)O)Cc1cccnc1.[H-].[Na+]
InChIInChI=1S/C12H18N2O2.Na.H/c1-14(8-3-2-6-12(15)16)10-11-5-4-7-13-9-11;;/h4-5,7,9H,2-3,6,8,10H2,1H3,(H,15,16);;/q;+1;-1
InChIKeyOSWYVRCKXNYSMQ-UHFFFAOYSA-N
XLogP-1.12
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
4-[methyl-[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 43563730
4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
CID 63571806
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
CID 60692668
4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 115122746
4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 62691218
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
5-[(3-methoxyphenyl)methyl-methylamino]pentanoic acid
CID 61417598
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263
3-[(4-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82327660

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid?
The IUPAC name of sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid (CID 173402275) is sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid?
The canonical SMILES for sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid is CN(CCCCC(=O)O)Cc1cccnc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid?
The InChIKey is OSWYVRCKXNYSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.Na.H/c1-14(8-3-2-6-12(15)16)10-11-5-4-7-13-9-11;;/h4-5,7,9H,2-3,6,8,10H2,1H3,(H,15,16);;/q;+1;-1.
What are the key properties of sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid?
sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid has a molecular weight of 246.29 g/mol, XLogP of -1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 173402275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).