N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride

C11H18ClN3O — CID 110755338

IUPACN-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
SMILESCN(C)CCCNC(=O)c1ccncc1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-14(2)9-3-6-13-11(15)10-4-7-12-8-5-10;/h4-5,7-8H,3,6,9H2,1-2H3,(H,13,15);1H
InChIKeyVGTKAYKJBLCJAV-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.18
Rot. Bonds5

About N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride

N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 110755338) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
PubChem CID110755338
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
SMILESCN(C)CCCNC(=O)c1ccncc1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-14(2)9-3-6-13-11(15)10-4-7-12-8-5-10;/h4-5,7-8H,3,6,9H2,1-2H3,(H,13,15);1H
InChIKeyVGTKAYKJBLCJAV-UHFFFAOYSA-N
XLogP1.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.18
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

N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid
CID 146050858
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-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride (CID 110755338) is N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride is CN(C)CCCNC(=O)c1ccncc1.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is VGTKAYKJBLCJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-14(2)9-3-6-13-11(15)10-4-7-12-8-5-10;/h4-5,7-8H,3,6,9H2,1-2H3,(H,13,15);1H.
What are the key properties of N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride?
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110755338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).