N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide

C17H23N3O — CID 114325830

IUPACN-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)ccn1
InChIInChI=1S/C17H23N3O/c18-9-15-8-12(1-2-19-15)17(21)20-16-13-4-10-3-11(6-13)7-14(16)5-10/h1-2,8,10-11,13-14,16H,3-7,9,18H2,(H,20,21)
InChIKeyKADKHCWZNCYSIH-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.09
Rot. Bonds3

About N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide

N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide (PubChem CID 114325830) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide
PubChem CID114325830
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)ccn1
InChIInChI=1S/C17H23N3O/c18-9-15-8-12(1-2-19-15)17(21)20-16-13-4-10-3-11(6-13)7-14(16)5-10/h1-2,8,10-11,13-14,16H,3-7,9,18H2,(H,20,21)
InChIKeyKADKHCWZNCYSIH-UHFFFAOYSA-N
XLogP2.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide (CID 114325830) is N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide is NCc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)ccn1.
What is the InChIKey of N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide?
The InChIKey is KADKHCWZNCYSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-9-15-8-12(1-2-19-15)17(21)20-16-13-4-10-3-11(6-13)7-14(16)5-10/h1-2,8,10-11,13-14,16H,3-7,9,18H2,(H,20,21).
What are the key properties of N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide?
N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114325830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).