N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide

C12H18N4O — CID 43706722

IUPACN-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1ncccc1NC(=O)C1CCCN1
InChIInChI=1S/C12H18N4O/c1-16(2)11-9(5-3-8-14-11)15-12(17)10-6-4-7-13-10/h3,5,8,10,13H,4,6-7H2,1-2H3,(H,15,17)
InChIKeyOBGUOTHGIQOCIN-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.84
Rot. Bonds3

About N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide

N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 43706722) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID43706722
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1ncccc1NC(=O)C1CCCN1
InChIInChI=1S/C12H18N4O/c1-16(2)11-9(5-3-8-14-11)15-12(17)10-6-4-7-13-10/h3,5,8,10,13H,4,6-7H2,1-2H3,(H,15,17)
InChIKeyOBGUOTHGIQOCIN-UHFFFAOYSA-N
XLogP0.84
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide
CID 64563799
N-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 43701315
N-quinolin-8-ylpiperidine-2-carboxamide
CID 18071566
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 61154948
N-quinolin-5-ylpiperidine-2-carboxamide
CID 18072312
(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 61169536
N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 78982003
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide
CID 64563985
(2R)-N-[2-[(dimethylamino)methyl]phenyl]piperidine-2-carboxamide
CID 104912781
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide
CID 93265591
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide (CID 43706722) is N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide is CN(C)c1ncccc1NC(=O)C1CCCN1.
What is the InChIKey of N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is OBGUOTHGIQOCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16(2)11-9(5-3-8-14-11)15-12(17)10-6-4-7-13-10/h3,5,8,10,13H,4,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide?
N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43706722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).