1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride

C10H15Cl2N3O — CID 175830226

IUPAC1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1CCN(c2cccnc2)C1
InChIInChI=1S/C10H13N3O.2ClH/c11-10(14)8-3-5-13(7-8)9-2-1-4-12-6-9;;/h1-2,4,6,8H,3,5,7H2,(H2,11,14);2*1H
InChIKeyXCQUPVWCUNCOKI-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.24
Rot. Bonds2

About 1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride

1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 175830226) has the molecular formula C10H15Cl2N3O and a molecular weight of 264.16 g/mol. Its IUPAC name is 1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
PubChem CID175830226
Molecular FormulaC10H15Cl2N3O
Molecular Weight264.16 g/mol
Exact Mass263.06
IUPAC Name1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1CCN(c2cccnc2)C1
InChIInChI=1S/C10H13N3O.2ClH/c11-10(14)8-3-5-13(7-8)9-2-1-4-12-6-9;;/h1-2,4,6,8H,3,5,7H2,(H2,11,14);2*1H
InChIKeyXCQUPVWCUNCOKI-UHFFFAOYSA-N
XLogP1.24
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 175830062
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 103847087
tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate
CID 21334263
1-naphthalen-2-ylpyrrolidine-3-carboxamide
CID 123803254
1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
CID 117008210
1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 117008153
1-(4-ethylphenyl)pyrrolidine-3-carboxamide
CID 117008157
N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide
CID 170551154
(3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide
CID 118058182
(3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide
CID 118058043

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of 1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride (CID 175830226) is 1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride is Cl.Cl.NC(=O)C1CCN(c2cccnc2)C1.
What is the InChIKey of 1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is XCQUPVWCUNCOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O.2ClH/c11-10(14)8-3-5-13(7-8)9-2-1-4-12-6-9;;/h1-2,4,6,8H,3,5,7H2,(H2,11,14);2*1H.
What are the key properties of 1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride?
1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 264.16 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 175830226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).