N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide

C13H20N4O — CID 113402639

IUPACN-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide
SMILESCNc1ccc(CN2CCC(NC(C)=O)C2)cn1
InChIInChI=1S/C13H20N4O/c1-10(18)16-12-5-6-17(9-12)8-11-3-4-13(14-2)15-7-11/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyHROIFRIDJFWJBV-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.83
Rot. Bonds4

About N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide

N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide (PubChem CID 113402639) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide
PubChem CID113402639
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide
SMILESCNc1ccc(CN2CCC(NC(C)=O)C2)cn1
InChIInChI=1S/C13H20N4O/c1-10(18)16-12-5-6-17(9-12)8-11-3-4-13(14-2)15-7-11/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyHROIFRIDJFWJBV-UHFFFAOYSA-N
XLogP0.83
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide
CID 99956372
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide
CID 77097348
N-methyl-1-[[6-(methylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55046042
N-[1-[[4-[5-(methylsulfonylmethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 170508722
4-[(3-acetamidopyrrolidin-1-yl)methyl]-2-fluorobenzoic acid
CID 106699396
1-[[6-(methylamino)-3-pyridinyl]methyl]azetidin-3-ol
CID 130991793
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233
3-[(3-acetamidopyrrolidin-1-yl)methyl]benzoic acid
CID 113402458
5-(azepan-1-ylmethyl)-N-methylpyridin-2-amine
CID 62182145
tert-butyl N-[(3R)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]carbamate
CID 71629138
N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide
CID 77091960

Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide (CID 113402639) is N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide is CNc1ccc(CN2CCC(NC(C)=O)C2)cn1.
What is the InChIKey of N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is HROIFRIDJFWJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(18)16-12-5-6-17(9-12)8-11-3-4-13(14-2)15-7-11/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,14,15)(H,16,18).
What are the key properties of N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide?
N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 113402639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).