2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide

C13H20N4O — CID 63761971

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(N2CCCC2CN)n1
InChIInChI=1S/C13H20N4O/c1-8-6-9(2)16-13(11(8)12(15)18)17-5-3-4-10(17)7-14/h6,10H,3-5,7,14H2,1-2H3,(H2,15,18)
InChIKeyJKARHBWZTVKMBL-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.72
Rot. Bonds3

About 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide

2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide (PubChem CID 63761971) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide
PubChem CID63761971
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(N2CCCC2CN)n1
InChIInChI=1S/C13H20N4O/c1-8-6-9(2)16-13(11(8)12(15)18)17-5-3-4-10(17)7-14/h6,10H,3-5,7,14H2,1-2H3,(H2,15,18)
InChIKeyJKARHBWZTVKMBL-UHFFFAOYSA-N
XLogP0.72
TPSA85.24 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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminoethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboxamide
CID 63767584
4-[2-(aminomethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboxamide
CID 81051866
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid
CID 62890033
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-2-carboxylate
CID 115538265
2-(azepan-1-yl)-4,6-dimethylpyridine-3-carboxamide
CID 17436858
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307
4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide
CID 113284599
4,6-dimethyl-2-[4-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 63249057
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate
CID 78920412
2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 81050331
4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide
CID 61177475

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide (CID 63761971) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(N2CCCC2CN)n1.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is JKARHBWZTVKMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8-6-9(2)16-13(11(8)12(15)18)17-5-3-4-10(17)7-14/h6,10H,3-5,7,14H2,1-2H3,(H2,15,18).
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide?
2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 63761971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).