(2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide

C12H18N4O — CID 93173237

IUPAC(2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN1c1ccncc1N
InChIInChI=1S/C12H18N4O/c1-15(2)12(17)11-4-3-7-16(11)10-5-6-14-8-9(10)13/h5-6,8,11H,3-4,7,13H2,1-2H3/t11-/m1/s1
InChIKeyZMGHQRZWKILQLK-LLVKDONJSA-N
MW234.30 g/mol
LogP0.72
Rot. Bonds2

About (2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide

(2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 93173237) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID93173237
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN1c1ccncc1N
InChIInChI=1S/C12H18N4O/c1-15(2)12(17)11-4-3-7-16(11)10-5-6-14-8-9(10)13/h5-6,8,11H,3-4,7,13H2,1-2H3/t11-/m1/s1
InChIKeyZMGHQRZWKILQLK-LLVKDONJSA-N
XLogP0.72
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 54985518
1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 83065677
1-(5-amino-1H-pyrazol-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 82234963
(2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 129391550
1-(3-amino-4-pyridinyl)piperidin-2-ol
CID 130114597
1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 104834158
1-(3-aminoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 103962898
1-(2-amino-5-bromo-4-fluorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 116735536
1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 133331225
1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032257
1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide
CID 89155190
1-(8-aminoisoquinolin-5-yl)pyrrolidine-2-carboxamide
CID 43448676

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 93173237) is (2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@H]1CCCN1c1ccncc1N.
What is the InChIKey of (2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is ZMGHQRZWKILQLK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N4O/c1-15(2)12(17)11-4-3-7-16(11)10-5-6-14-8-9(10)13/h5-6,8,11H,3-4,7,13H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide?
(2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 93173237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).