N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride

C12H19Cl2N3O — CID 119853598

IUPACN-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1ccc(CNC(=O)C2CCNC2)cn1.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-9-2-3-10(6-14-9)7-15-12(16)11-4-5-13-8-11;;/h2-3,6,11,13H,4-5,7-8H2,1H3,(H,15,16);2*1H
InChIKeyNCVNIIYGSHTYJV-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.46
Rot. Bonds3

About N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119853598) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119853598
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1ccc(CNC(=O)C2CCNC2)cn1.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-9-2-3-10(6-14-9)7-15-12(16)11-4-5-13-8-11;;/h2-3,6,11,13H,4-5,7-8H2,1H3,(H,15,16);2*1H
InChIKeyNCVNIIYGSHTYJV-UHFFFAOYSA-N
XLogP1.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 63005233
(3S)-N-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81140194
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846267
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 119399620
N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63006041
N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223600
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848561
N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119869411
N-[[6-(diethylamino)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119846329
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119806005

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119853598) is N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride is Cc1ccc(CNC(=O)C2CCNC2)cn1.Cl.Cl.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is NCVNIIYGSHTYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.2ClH/c1-9-2-3-10(6-14-9)7-15-12(16)11-4-5-13-8-11;;/h2-3,6,11,13H,4-5,7-8H2,1H3,(H,15,16);2*1H.
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 292.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119853598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).