N-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride

C14H20Cl2N4O2 — CID 120943217

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
SMILESCc1ccn2cc(C(=O)NCC3CNCC3O)nc2c1.Cl.Cl
InChIInChI=1S/C14H18N4O2.2ClH/c1-9-2-3-18-8-11(17-13(18)4-9)14(20)16-6-10-5-15-7-12(10)19;;/h2-4,8,10,12,15,19H,5-7H2,1H3,(H,16,20);2*1H
InChIKeyDREHOSUJCBERHF-UHFFFAOYSA-N
MW347.25 g/mol
LogP0.80
Rot. Bonds3

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride (PubChem CID 120943217) has the molecular formula C14H20Cl2N4O2 and a molecular weight of 347.25 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
PubChem CID120943217
Molecular FormulaC14H20Cl2N4O2
Molecular Weight347.25 g/mol
Exact Mass346.10
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
SMILESCc1ccn2cc(C(=O)NCC3CNCC3O)nc2c1.Cl.Cl
InChIInChI=1S/C14H18N4O2.2ClH/c1-9-2-3-18-8-11(17-13(18)4-9)14(20)16-6-10-5-15-7-12(10)19;;/h2-4,8,10,12,15,19H,5-7H2,1H3,(H,16,20);2*1H
InChIKeyDREHOSUJCBERHF-UHFFFAOYSA-N
XLogP0.80
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
CID 120946954
N-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 46684175
N-benzyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 1172225
N-(2-ethylsulfonylethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 51108649
N-[(2S)-butan-2-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 34674868
N-cycloheptyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 40723824
N-(1-hydroxy-3,3-dimethylbutan-2-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 175305720
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 120946334
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 120948333
7-methyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 52530334
7-methyl-N-(2-piperidin-1-ylsulfonylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 46971998
7-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 46655437

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride (CID 120943217) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride is Cc1ccn2cc(C(=O)NCC3CNCC3O)nc2c1.Cl.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride?
The InChIKey is DREHOSUJCBERHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.2ClH/c1-9-2-3-18-8-11(17-13(18)4-9)14(20)16-6-10-5-15-7-12(10)19;;/h2-4,8,10,12,15,19H,5-7H2,1H3,(H,16,20);2*1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 347.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120943217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).