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

C13H20N4O — CID 62063610

IUPAC4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(N2CCC(CN)C2)ccn1
InChIInChI=1S/C13H20N4O/c1-16(2)13(18)12-7-11(3-5-15-12)17-6-4-10(8-14)9-17/h3,5,7,10H,4,6,8-9,14H2,1-2H3
InChIKeyYYMOVJPLGIHAAD-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.57
Rot. Bonds3

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

4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 62063610) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID62063610
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(N2CCC(CN)C2)ccn1
InChIInChI=1S/C13H20N4O/c1-16(2)13(18)12-7-11(3-5-15-12)17-6-4-10(8-14)9-17/h3,5,7,10H,4,6,8-9,14H2,1-2H3
InChIKeyYYMOVJPLGIHAAD-UHFFFAOYSA-N
XLogP0.57
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide
CID 62917818
1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid
CID 43395822
[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine
CID 87263242
methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate
CID 115538469
N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
CID 94895221
N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 136528477
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide
CID 55154937
N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide
CID 56912622
4-(3-aminopyrrolidin-1-yl)-N-methylpyridine-2-carboxamide
CID 62067734
4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 171704184
4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide
CID 109216380
N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide
CID 136524869

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide (CID 62063610) is 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(N2CCC(CN)C2)ccn1.
What is the InChIKey of 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is YYMOVJPLGIHAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16(2)13(18)12-7-11(3-5-15-12)17-6-4-10(8-14)9-17/h3,5,7,10H,4,6,8-9,14H2,1-2H3.
What are the key properties of 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 62063610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).