3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide

C14H22N4O — CID 115426176

IUPAC3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
SMILESCC(C)(CN)C(=O)Nc1cccnc1N1CCCC1
InChIInChI=1S/C14H22N4O/c1-14(2,10-15)13(19)17-11-6-5-7-16-12(11)18-8-3-4-9-18/h5-7H,3-4,8-10,15H2,1-2H3,(H,17,19)
InChIKeyXGSGGJXWBZMFGH-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.61
Rot. Bonds4

About 3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide

3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide (PubChem CID 115426176) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
PubChem CID115426176
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
SMILESCC(C)(CN)C(=O)Nc1cccnc1N1CCCC1
InChIInChI=1S/C14H22N4O/c1-14(2,10-15)13(19)17-11-6-5-7-16-12(11)18-8-3-4-9-18/h5-7H,3-4,8-10,15H2,1-2H3,(H,17,19)
InChIKeyXGSGGJXWBZMFGH-UHFFFAOYSA-N
XLogP1.61
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide (CID 115426176) is 3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide is CC(C)(CN)C(=O)Nc1cccnc1N1CCCC1.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The InChIKey is XGSGGJXWBZMFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,10-15)13(19)17-11-6-5-7-16-12(11)18-8-3-4-9-18/h5-7H,3-4,8-10,15H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide?
3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide has a molecular weight of 262.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 115426176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).