N-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide

C15H21N3O — CID 166898385

IUPACN-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide
SMILESCC(C(=O)Nc1cccnc1N)C(C1CC1)C1CC1
InChIInChI=1S/C15H21N3O/c1-9(13(10-4-5-10)11-6-7-11)15(19)18-12-3-2-8-17-14(12)16/h2-3,8-11,13H,4-7H2,1H3,(H2,16,17)(H,18,19)
InChIKeyISUAGVMKIGEXCK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.67
Rot. Bonds5

About N-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide

N-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide (PubChem CID 166898385) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide
PubChem CID166898385
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide
SMILESCC(C(=O)Nc1cccnc1N)C(C1CC1)C1CC1
InChIInChI=1S/C15H21N3O/c1-9(13(10-4-5-10)11-6-7-11)15(19)18-12-3-2-8-17-14(12)16/h2-3,8-11,13H,4-7H2,1H3,(H2,16,17)(H,18,19)
InChIKeyISUAGVMKIGEXCK-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide?
The IUPAC name of N-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide (CID 166898385) is N-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide.
What is the SMILES notation for N-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide?
The canonical SMILES for N-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide is CC(C(=O)Nc1cccnc1N)C(C1CC1)C1CC1.
What is the InChIKey of N-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide?
The InChIKey is ISUAGVMKIGEXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-9(13(10-4-5-10)11-6-7-11)15(19)18-12-3-2-8-17-14(12)16/h2-3,8-11,13H,4-7H2,1H3,(H2,16,17)(H,18,19).
What are the key properties of N-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide?
N-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-pyridinyl)-3,3-dicyclopropyl-2-methylpropanamide is sourced from PubChem (CID 166898385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).