N-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide

C13H20N4O — CID 79388822

IUPACN-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C13H20N4O/c1-9-11(6-7-14-9)13(18)16-10-4-5-12(15-8-10)17(2)3/h4-5,8-9,11,14H,6-7H2,1-3H3,(H,16,18)
InChIKeyMVHAGGASAUJOEI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.08
Rot. Bonds3

About N-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide

N-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide (PubChem CID 79388822) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide
PubChem CID79388822
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C13H20N4O/c1-9-11(6-7-14-9)13(18)16-10-4-5-12(15-8-10)17(2)3/h4-5,8-9,11,14H,6-7H2,1-3H3,(H,16,18)
InChIKeyMVHAGGASAUJOEI-UHFFFAOYSA-N
XLogP1.08
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 60942050
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
(2R)-N-[6-(dimethylamino)-3-pyridinyl]piperidine-2-carboxamide
CID 104912943
2-methyl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 79383379
2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide
CID 64822752
2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
N-[6-(dimethylamino)-3-pyridinyl]-4-ethylpiperidine-2-carboxamide
CID 114428224
N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388750
N-(4-bromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382667
N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
CID 114050445
2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 79378348
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378598

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide (CID 79388822) is N-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)Nc1ccc(N(C)C)nc1.
What is the InChIKey of N-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide?
The InChIKey is MVHAGGASAUJOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-11(6-7-14-9)13(18)16-10-4-5-12(15-8-10)17(2)3/h4-5,8-9,11,14H,6-7H2,1-3H3,(H,16,18).
What are the key properties of N-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide?
N-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).