N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid

C16H26N4O5 — CID 146050858

IUPACN-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid
SMILESCN(C)CCCNCCCNC(=O)c1ccncc1.O=C(O)C(=O)O
InChIInChI=1S/C14H24N4O.C2H2O4/c1-18(2)12-4-8-15-7-3-9-17-14(19)13-5-10-16-11-6-13;3-1(4)2(5)6/h5-6,10-11,15H,3-4,7-9,12H2,1-2H3,(H,17,19);(H,3,4)(H,5,6)
InChIKeyDRZJIEJKMDCMHL-UHFFFAOYSA-N
MW354.41 g/mol
LogP-0.10
Rot. Bonds9

About N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid

N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid (PubChem CID 146050858) has the molecular formula C16H26N4O5 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid
PubChem CID146050858
Molecular FormulaC16H26N4O5
Molecular Weight354.41 g/mol
Exact Mass354.19
IUPAC NameN-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid
SMILESCN(C)CCCNCCCNC(=O)c1ccncc1.O=C(O)C(=O)O
InChIInChI=1S/C14H24N4O.C2H2O4/c1-18(2)12-4-8-15-7-3-9-17-14(19)13-5-10-16-11-6-13;3-1(4)2(5)6/h5-6,10-11,15H,3-4,7-9,12H2,1-2H3,(H,17,19);(H,3,4)(H,5,6)
InChIKeyDRZJIEJKMDCMHL-UHFFFAOYSA-N
XLogP-0.10
TPSA131.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid 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

N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
N-butylpyridine-4-carboxamide
CID 5030535
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-pentylpyridine-4-carboxamide
CID 2307296
N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide
CID 110485149
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
N-hexylpyridine-4-carboxamide
CID 3423732
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid?
The IUPAC name of N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid (CID 146050858) is N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid.
What is the SMILES notation for N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid?
The canonical SMILES for N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid is CN(C)CCCNCCCNC(=O)c1ccncc1.O=C(O)C(=O)O.
What is the InChIKey of N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid?
The InChIKey is DRZJIEJKMDCMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.C2H2O4/c1-18(2)12-4-8-15-7-3-9-17-14(19)13-5-10-16-11-6-13;3-1(4)2(5)6/h5-6,10-11,15H,3-4,7-9,12H2,1-2H3,(H,17,19);(H,3,4)(H,5,6).
What are the key properties of N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid?
N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid has a molecular weight of 354.41 g/mol, XLogP of -0.10, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid is sourced from PubChem (CID 146050858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).