N-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide

C15H24N4O — CID 61365011

IUPACN-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide
SMILESCCN(CC)c1ccc(NC(=O)CC2CCCN2)cn1
InChIInChI=1S/C15H24N4O/c1-3-19(4-2)14-8-7-13(11-17-14)18-15(20)10-12-6-5-9-16-12/h7-8,11-12,16H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeyKLEWSSITPNXXKQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.01
Rot. Bonds6

About N-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide

N-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 61365011) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide
PubChem CID61365011
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide
SMILESCCN(CC)c1ccc(NC(=O)CC2CCCN2)cn1
InChIInChI=1S/C15H24N4O/c1-3-19(4-2)14-8-7-13(11-17-14)18-15(20)10-12-6-5-9-16-12/h7-8,11-12,16H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeyKLEWSSITPNXXKQ-UHFFFAOYSA-N
XLogP2.01
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide (CID 61365011) is N-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide is CCN(CC)c1ccc(NC(=O)CC2CCCN2)cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is KLEWSSITPNXXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-19(4-2)14-8-7-13(11-17-14)18-15(20)10-12-6-5-9-16-12/h7-8,11-12,16H,3-6,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide?
N-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61365011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).