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

C11H17Cl2N3O2 — CID 120946232

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CNCC1O)c1ccccn1
InChIInChI=1S/C11H15N3O2.2ClH/c15-10-7-12-5-8(10)6-14-11(16)9-3-1-2-4-13-9;;/h1-4,8,10,12,15H,5-7H2,(H,14,16);2*1H
InChIKeyDNLNISFQSRQYPH-UHFFFAOYSA-N
MW294.18 g/mol
LogP0.24
Rot. Bonds3

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

N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride (PubChem CID 120946232) has the molecular formula C11H17Cl2N3O2 and a molecular weight of 294.18 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
PubChem CID120946232
Molecular FormulaC11H17Cl2N3O2
Molecular Weight294.18 g/mol
Exact Mass293.07
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CNCC1O)c1ccccn1
InChIInChI=1S/C11H15N3O2.2ClH/c15-10-7-12-5-8(10)6-14-11(16)9-3-1-2-4-13-9;;/h1-4,8,10,12,15H,5-7H2,(H,14,16);2*1H
InChIKeyDNLNISFQSRQYPH-UHFFFAOYSA-N
XLogP0.24
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 120947554
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]pyridine-2-carboxamide
CID 155996114
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120947898
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 120944668
5-cyclopropyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 120944680
N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
CID 120946954
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 108732321
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 120947063
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 120945116

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride (CID 120946232) is N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CNCC1O)c1ccccn1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride?
The InChIKey is DNLNISFQSRQYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.2ClH/c15-10-7-12-5-8(10)6-14-11(16)9-3-1-2-4-13-9;;/h1-4,8,10,12,15H,5-7H2,(H,14,16);2*1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 294.18 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120946232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).