N-[[3-(aminomethyl)-1-hydroxycyclobutyl]methyl]-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide

C15H23N3O3 — CID 167754411

IUPACN-[[3-(aminomethyl)-1-hydroxycyclobutyl]methyl]-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)c(C(=O)NCC2(O)CC(CN)C2)cc1C
InChIInChI=1S/C15H23N3O3/c1-3-12-9(2)4-11(14(20)18-12)13(19)17-8-15(21)5-10(6-15)7-16/h4,10,21H,3,5-8,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLTHMLXSVFRCZTN-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.08
Rot. Bonds5

About N-[[3-(aminomethyl)-1-hydroxycyclobutyl]methyl]-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[[3-(aminomethyl)-1-hydroxycyclobutyl]methyl]-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 167754411) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1-hydroxycyclobutyl]methyl]-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1-hydroxycyclobutyl]methyl]-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID167754411
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[[3-(aminomethyl)-1-hydroxycyclobutyl]methyl]-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)c(C(=O)NCC2(O)CC(CN)C2)cc1C
InChIInChI=1S/C15H23N3O3/c1-3-12-9(2)4-11(14(20)18-12)13(19)17-8-15(21)5-10(6-15)7-16/h4,10,21H,3,5-8,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLTHMLXSVFRCZTN-UHFFFAOYSA-N
XLogP0.08
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-1-hydroxycyclobutyl]methyl]-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[3-(aminomethyl)-1-hydroxycyclobutyl]methyl]-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 167754411) is N-[[3-(aminomethyl)-1-hydroxycyclobutyl]methyl]-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(aminomethyl)-1-hydroxycyclobutyl]methyl]-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(aminomethyl)-1-hydroxycyclobutyl]methyl]-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide is CCc1[nH]c(=O)c(C(=O)NCC2(O)CC(CN)C2)cc1C.
What is the InChIKey of N-[[3-(aminomethyl)-1-hydroxycyclobutyl]methyl]-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LTHMLXSVFRCZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-12-9(2)4-11(14(20)18-12)13(19)17-8-15(21)5-10(6-15)7-16/h4,10,21H,3,5-8,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[[3-(aminomethyl)-1-hydroxycyclobutyl]methyl]-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[[3-(aminomethyl)-1-hydroxycyclobutyl]methyl]-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-1-hydroxycyclobutyl]methyl]-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 167754411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).