6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride

C11H17Cl2N3O — CID 119451522

IUPAC6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
SMILESCc1cccc(C(=O)NC2CCNC2)n1.Cl.Cl
InChIInChI=1S/C11H15N3O.2ClH/c1-8-3-2-4-10(13-8)11(15)14-9-5-6-12-7-9;;/h2-4,9,12H,5-7H2,1H3,(H,14,15);2*1H
InChIKeyQVTPWOUCPPXPCW-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.33
Rot. Bonds2

About 6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride

6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride (PubChem CID 119451522) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is 6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
PubChem CID119451522
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC Name6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
SMILESCc1cccc(C(=O)NC2CCNC2)n1.Cl.Cl
InChIInChI=1S/C11H15N3O.2ClH/c1-8-3-2-4-10(13-8)11(15)14-9-5-6-12-7-9;;/h2-4,9,12H,5-7H2,1H3,(H,14,15);2*1H
InChIKeyQVTPWOUCPPXPCW-UHFFFAOYSA-N
XLogP1.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 166178324
6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 80564489
6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 61403349
6-methyl-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
CID 47344489
2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 126782991
2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide
CID 142582873
1,5-dimethyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119451610
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 103120955
2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61403303
N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 113265403
2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride
CID 119386176

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride?
The IUPAC name of 6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride (CID 119451522) is 6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for 6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride is Cc1cccc(C(=O)NC2CCNC2)n1.Cl.Cl.
What is the InChIKey of 6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride?
The InChIKey is QVTPWOUCPPXPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.2ClH/c1-8-3-2-4-10(13-8)11(15)14-9-5-6-12-7-9;;/h2-4,9,12H,5-7H2,1H3,(H,14,15);2*1H.
What are the key properties of 6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride?
6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride has a molecular weight of 278.18 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119451522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).