5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide

C12H17N3O2 — CID 63723702

IUPAC5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESNCc1ccc(C(=O)N(CCO)C2CC2)nc1
InChIInChI=1S/C12H17N3O2/c13-7-9-1-4-11(14-8-9)12(17)15(5-6-16)10-2-3-10/h1,4,8,10,16H,2-3,5-7,13H2
InChIKeyBNPNDTLIMJENMS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.14
Rot. Bonds5

About 5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide

5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 63723702) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
PubChem CID63723702
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESNCc1ccc(C(=O)N(CCO)C2CC2)nc1
InChIInChI=1S/C12H17N3O2/c13-7-9-1-4-11(14-8-9)12(17)15(5-6-16)10-2-3-10/h1,4,8,10,16H,2-3,5-7,13H2
InChIKeyBNPNDTLIMJENMS-UHFFFAOYSA-N
XLogP0.14
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide (CID 63723702) is 5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide is NCc1ccc(C(=O)N(CCO)C2CC2)nc1.
What is the InChIKey of 5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is BNPNDTLIMJENMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-7-9-1-4-11(14-8-9)12(17)15(5-6-16)10-2-3-10/h1,4,8,10,16H,2-3,5-7,13H2.
What are the key properties of 5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide?
5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 63723702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).