N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide

C13H19N3O2 — CID 66004621

IUPACN-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NCC2CC(O)C2)ccn1
InChIInChI=1S/C13H19N3O2/c1-2-14-13(18)12-7-10(3-4-15-12)16-8-9-5-11(17)6-9/h3-4,7,9,11,17H,2,5-6,8H2,1H3,(H,14,18)(H,15,16)
InChIKeyVETSUAHUKDWQEU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.01
Rot. Bonds5

About N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide

N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide (PubChem CID 66004621) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide
PubChem CID66004621
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NCC2CC(O)C2)ccn1
InChIInChI=1S/C13H19N3O2/c1-2-14-13(18)12-7-10(3-4-15-12)16-8-9-5-11(17)6-9/h3-4,7,9,11,17H,2,5-6,8H2,1H3,(H,14,18)(H,15,16)
InChIKeyVETSUAHUKDWQEU-UHFFFAOYSA-N
XLogP1.01
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide (CID 66004621) is N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide is CCNC(=O)c1cc(NCC2CC(O)C2)ccn1.
What is the InChIKey of N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide?
The InChIKey is VETSUAHUKDWQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-14-13(18)12-7-10(3-4-15-12)16-8-9-5-11(17)6-9/h3-4,7,9,11,17H,2,5-6,8H2,1H3,(H,14,18)(H,15,16).
What are the key properties of N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide?
N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 66004621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).