(2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride

C10H15Cl2N3O — CID 130774871

IUPAC(2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride
SMILESCN(C(=O)[C@H]1CCN1)c1cccnc1.Cl.Cl
InChIInChI=1S/C10H13N3O.2ClH/c1-13(8-3-2-5-11-7-8)10(14)9-4-6-12-9;;/h2-3,5,7,9,12H,4,6H2,1H3;2*1H/t9-;;/m1../s1
InChIKeyCSYWPKHRYVRDCL-KLQYNRQASA-N
MW264.16 g/mol
LogP1.25
Rot. Bonds2

About (2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride

(2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride (PubChem CID 130774871) has the molecular formula C10H15Cl2N3O and a molecular weight of 264.16 g/mol. Its IUPAC name is (2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride
PubChem CID130774871
Molecular FormulaC10H15Cl2N3O
Molecular Weight264.16 g/mol
Exact Mass263.06
IUPAC Name(2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride
SMILESCN(C(=O)[C@H]1CCN1)c1cccnc1.Cl.Cl
InChIInChI=1S/C10H13N3O.2ClH/c1-13(8-3-2-5-11-7-8)10(14)9-4-6-12-9;;/h2-3,5,7,9,12H,4,6H2,1H3;2*1H/t9-;;/m1../s1
InChIKeyCSYWPKHRYVRDCL-KLQYNRQASA-N
XLogP1.25
TPSA45.23 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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide
CID 115177973
N-methyl-N-pyridin-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471611
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 115151182
N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958234
(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61155587
(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride
CID 120800635
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 126766987
4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide
CID 106935045
cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 124609562
4-ethyl-2-[methyl(pyridin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511846

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride (CID 130774871) is (2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride is CN(C(=O)[C@H]1CCN1)c1cccnc1.Cl.Cl.
What is the InChIKey of (2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride?
The InChIKey is CSYWPKHRYVRDCL-KLQYNRQASA-N. The full InChI is InChI=1S/C10H13N3O.2ClH/c1-13(8-3-2-5-11-7-8)10(14)9-4-6-12-9;;/h2-3,5,7,9,12H,4,6H2,1H3;2*1H/t9-;;/m1../s1.
What are the key properties of (2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride?
(2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride has a molecular weight of 264.16 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 130774871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).