1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide

C13H15ClN4O — CID 133331252

IUPAC1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ccc(Cl)c(C#N)n1
InChIInChI=1S/C13H15ClN4O/c1-17(2)13(19)11-4-3-7-18(11)12-6-5-9(14)10(8-15)16-12/h5-6,11H,3-4,7H2,1-2H3
InChIKeyMOIXDDMATXEAKO-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.66
Rot. Bonds2

About 1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 133331252) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID133331252
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ccc(Cl)c(C#N)n1
InChIInChI=1S/C13H15ClN4O/c1-17(2)13(19)11-4-3-7-18(11)12-6-5-9(14)10(8-15)16-12/h5-6,11H,3-4,7H2,1-2H3
InChIKeyMOIXDDMATXEAKO-UHFFFAOYSA-N
XLogP1.66
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122059695
3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 127430193
1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid
CID 122047509
1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 104834158
1-(5-amino-6-cyano-2-pyridinyl)piperidine-2-carboxamide
CID 103467973
(2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 129391550
methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 146387890
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 133488872
1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 114046115
1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 62500743
(2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 122059729
3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 133323340

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 133331252) is 1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1ccc(Cl)c(C#N)n1.
What is the InChIKey of 1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is MOIXDDMATXEAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-17(2)13(19)11-4-3-7-18(11)12-6-5-9(14)10(8-15)16-12/h5-6,11H,3-4,7H2,1-2H3.
What are the key properties of 1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 133331252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).