N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

C20H26N4O — CID 72908872

IUPACN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESCc1cc(C)nc(CN(C)C(=O)C(c2cccnc2)N2CCCC2)c1
InChIInChI=1S/C20H26N4O/c1-15-11-16(2)22-18(12-15)14-23(3)20(25)19(24-9-4-5-10-24)17-7-6-8-21-13-17/h6-8,11-13,19H,4-5,9-10,14H2,1-3H3
InChIKeyAPVOQYKZDYYTEZ-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.89
Rot. Bonds5

About N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (PubChem CID 72908872) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
PubChem CID72908872
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESCc1cc(C)nc(CN(C)C(=O)C(c2cccnc2)N2CCCC2)c1
InChIInChI=1S/C20H26N4O/c1-15-11-16(2)22-18(12-15)14-23(3)20(25)19(24-9-4-5-10-24)17-7-6-8-21-13-17/h6-8,11-13,19H,4-5,9-10,14H2,1-3H3
InChIKeyAPVOQYKZDYYTEZ-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (CID 72908872) is N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is Cc1cc(C)nc(CN(C)C(=O)C(c2cccnc2)N2CCCC2)c1.
What is the InChIKey of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The InChIKey is APVOQYKZDYYTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-11-16(2)22-18(12-15)14-23(3)20(25)19(24-9-4-5-10-24)17-7-6-8-21-13-17/h6-8,11-13,19H,4-5,9-10,14H2,1-3H3.
What are the key properties of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide has a molecular weight of 338.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 72908872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).