N-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide

C14H19N3O2 — CID 178152323

IUPACN-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C14H19N3O2/c1-11(18)16(2)10-12-5-6-15-13(9-12)14(19)17-7-3-4-8-17/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyXDMVHCCJMRSVAI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.30
Rot. Bonds3

About N-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide

N-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide (PubChem CID 178152323) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide
PubChem CID178152323
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C14H19N3O2/c1-11(18)16(2)10-12-5-6-15-13(9-12)14(19)17-7-3-4-8-17/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyXDMVHCCJMRSVAI-UHFFFAOYSA-N
XLogP1.30
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080522
[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203679
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204371
azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109208613
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082965
1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209058
[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109203044
azepan-1-yl-[4-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109213422

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide (CID 178152323) is N-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide is CC(=O)N(C)Cc1ccnc(C(=O)N2CCCC2)c1.
What is the InChIKey of N-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide?
The InChIKey is XDMVHCCJMRSVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(18)16(2)10-12-5-6-15-13(9-12)14(19)17-7-3-4-8-17/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide?
N-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide is sourced from PubChem (CID 178152323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).