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

C12H19Cl2N3O2 — CID 120944751

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
SMILESCc1ncccc1C(=O)NCC1CNCC1O.Cl.Cl
InChIInChI=1S/C12H17N3O2.2ClH/c1-8-10(3-2-4-14-8)12(17)15-6-9-5-13-7-11(9)16;;/h2-4,9,11,13,16H,5-7H2,1H3,(H,15,17);2*1H
InChIKeyPPZYGVLTVVPLSX-UHFFFAOYSA-N
MW308.21 g/mol
LogP0.54
Rot. Bonds3

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

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride (PubChem CID 120944751) has the molecular formula C12H19Cl2N3O2 and a molecular weight of 308.21 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
PubChem CID120944751
Molecular FormulaC12H19Cl2N3O2
Molecular Weight308.21 g/mol
Exact Mass307.09
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
SMILESCc1ncccc1C(=O)NCC1CNCC1O.Cl.Cl
InChIInChI=1S/C12H17N3O2.2ClH/c1-8-10(3-2-4-14-8)12(17)15-6-9-5-13-7-11(9)16;;/h2-4,9,11,13,16H,5-7H2,1H3,(H,15,17);2*1H
InChIKeyPPZYGVLTVVPLSX-UHFFFAOYSA-N
XLogP0.54
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
CID 120945860
2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 120946923
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120944494
4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol
CID 120961741
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 120944668
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 120943463
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 120945658
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120944201
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 120947540

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride (CID 120944751) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride is Cc1ncccc1C(=O)NCC1CNCC1O.Cl.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is PPZYGVLTVVPLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.2ClH/c1-8-10(3-2-4-14-8)12(17)15-6-9-5-13-7-11(9)16;;/h2-4,9,11,13,16H,5-7H2,1H3,(H,15,17);2*1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 308.21 g/mol, XLogP of 0.54, 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]-2-methylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120944751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).