2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide

C14H23N3O — CID 81312245

IUPAC2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(CC(CN)C(=O)NC(C)(C)C)nc1
InChIInChI=1S/C14H23N3O/c1-10-5-6-12(16-9-10)7-11(8-15)13(18)17-14(2,3)4/h5-6,9,11H,7-8,15H2,1-4H3,(H,17,18)
InChIKeyCPBCNAGVAJPESM-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.42
Rot. Bonds4

About 2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide

2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide (PubChem CID 81312245) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide
PubChem CID81312245
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(CC(CN)C(=O)NC(C)(C)C)nc1
InChIInChI=1S/C14H23N3O/c1-10-5-6-12(16-9-10)7-11(8-15)13(18)17-14(2,3)4/h5-6,9,11H,7-8,15H2,1-4H3,(H,17,18)
InChIKeyCPBCNAGVAJPESM-UHFFFAOYSA-N
XLogP1.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide (CID 81312245) is 2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(CC(CN)C(=O)NC(C)(C)C)nc1.
What is the InChIKey of 2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is CPBCNAGVAJPESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-5-6-12(16-9-10)7-11(8-15)13(18)17-14(2,3)4/h5-6,9,11H,7-8,15H2,1-4H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide?
2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 249.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 81312245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).