N-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]oxypyridine-2-carboxamide;hydrochloride

C12H18ClN3O2 — CID 171616876

IUPACN-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]oxypyridine-2-carboxamide;hydrochloride
SMILESCNC(=O)c1ccc(O[C@]2(C)CCNC2)cn1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-12(5-6-14-8-12)17-9-3-4-10(15-7-9)11(16)13-2;/h3-4,7,14H,5-6,8H2,1-2H3,(H,13,16);1H/t12-;/m1./s1
InChIKeyBUDARGTUWVDPKI-UTONKHPSSA-N
MW271.75 g/mol
LogP0.99
Rot. Bonds3

About N-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]oxypyridine-2-carboxamide;hydrochloride

N-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]oxypyridine-2-carboxamide;hydrochloride (PubChem CID 171616876) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]oxypyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]oxypyridine-2-carboxamide;hydrochloride
PubChem CID171616876
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC NameN-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]oxypyridine-2-carboxamide;hydrochloride
SMILESCNC(=O)c1ccc(O[C@]2(C)CCNC2)cn1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-12(5-6-14-8-12)17-9-3-4-10(15-7-9)11(16)13-2;/h3-4,7,14H,5-6,8H2,1-2H3,(H,13,16);1H/t12-;/m1./s1
InChIKeyBUDARGTUWVDPKI-UTONKHPSSA-N
XLogP0.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid
CID 119086981
methyl 4-(4-methylpiperidin-4-yl)oxybenzoate
CID 117053542
5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide
CID 171487958
5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107422979
tert-butyl 3-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)azetidine-1-carboxylate
CID 171487939
N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide;hydrochloride
CID 170561549
N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 166021939
4-(3-methylpiperidin-3-yl)oxybenzonitrile
CID 117052663
5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 113400496
N-methyl-5-(1,2,3,7-tetrahydro-1,4-diazepin-4-yl)pyridine-2-carboxamide
CID 176964530
5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103753315
N-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
CID 58126279

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]oxypyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]oxypyridine-2-carboxamide;hydrochloride (CID 171616876) is N-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]oxypyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]oxypyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]oxypyridine-2-carboxamide;hydrochloride is CNC(=O)c1ccc(O[C@]2(C)CCNC2)cn1.Cl.
What is the InChIKey of N-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]oxypyridine-2-carboxamide;hydrochloride?
The InChIKey is BUDARGTUWVDPKI-UTONKHPSSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-12(5-6-14-8-12)17-9-3-4-10(15-7-9)11(16)13-2;/h3-4,7,14H,5-6,8H2,1-2H3,(H,13,16);1H/t12-;/m1./s1.
What are the key properties of N-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]oxypyridine-2-carboxamide;hydrochloride?
N-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]oxypyridine-2-carboxamide;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]oxypyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 171616876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).