2-[ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide

C14H22N4O — CID 99824829

IUPAC2-[ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide
SMILESCCN(CC(N)=O)Cc1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H22N4O/c1-2-17(11-13(15)19)10-12-5-6-14(16-9-12)18-7-3-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H2,15,19)
InChIKeyRRWMRDMEEIKTJW-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.99
Rot. Bonds6

About 2-[ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide

2-[ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide (PubChem CID 99824829) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide
PubChem CID99824829
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide
SMILESCCN(CC(N)=O)Cc1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H22N4O/c1-2-17(11-13(15)19)10-12-5-6-14(16-9-12)18-7-3-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H2,15,19)
InChIKeyRRWMRDMEEIKTJW-UHFFFAOYSA-N
XLogP0.99
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide?
The IUPAC name of 2-[ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide (CID 99824829) is 2-[ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide.
What is the SMILES notation for 2-[ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide?
The canonical SMILES for 2-[ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide is CCN(CC(N)=O)Cc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-[ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide?
The InChIKey is RRWMRDMEEIKTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-17(11-13(15)19)10-12-5-6-14(16-9-12)18-7-3-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H2,15,19).
What are the key properties of 2-[ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide?
2-[ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide has a molecular weight of 262.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide is sourced from PubChem (CID 99824829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).