2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride

C13H22Cl2N4O2 — CID 120945876

IUPAC2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride
SMILESCN(C)c1cc(C(=O)NCC2CNCC2O)ccn1.Cl.Cl
InChIInChI=1S/C13H20N4O2.2ClH/c1-17(2)12-5-9(3-4-15-12)13(19)16-7-10-6-14-8-11(10)18;;/h3-5,10-11,14,18H,6-8H2,1-2H3,(H,16,19);2*1H
InChIKeyGMIRKJFECITJNN-UHFFFAOYSA-N
MW337.25 g/mol
LogP0.30
Rot. Bonds4

About 2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride

2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride (PubChem CID 120945876) has the molecular formula C13H22Cl2N4O2 and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride
PubChem CID120945876
Molecular FormulaC13H22Cl2N4O2
Molecular Weight337.25 g/mol
Exact Mass336.11
IUPAC Name2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride
SMILESCN(C)c1cc(C(=O)NCC2CNCC2O)ccn1.Cl.Cl
InChIInChI=1S/C13H20N4O2.2ClH/c1-17(2)12-5-9(3-4-15-12)13(19)16-7-10-6-14-8-11(10)18;;/h3-5,10-11,14,18H,6-8H2,1-2H3,(H,16,19);2*1H
InChIKeyGMIRKJFECITJNN-UHFFFAOYSA-N
XLogP0.30
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 66006489
2-(dimethylamino)-N-[(3-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 103280007
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 120946250
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 120944561
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 84574435
3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120945188
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232
3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943825
4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride
CID 120945283
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 120943158

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride (CID 120945876) is 2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride is CN(C)c1cc(C(=O)NCC2CNCC2O)ccn1.Cl.Cl.
What is the InChIKey of 2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is GMIRKJFECITJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.2ClH/c1-17(2)12-5-9(3-4-15-12)13(19)16-7-10-6-14-8-11(10)18;;/h3-5,10-11,14,18H,6-8H2,1-2H3,(H,16,19);2*1H.
What are the key properties of 2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride?
2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 337.25 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120945876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).