N-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide

C15H22N4O2 — CID 167138828

IUPACN-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)NCCN2CC(C)(C)C2)cc1NC=O
InChIInChI=1S/C15H22N4O2/c1-11-13(18-10-20)6-12(7-17-11)14(21)16-4-5-19-8-15(2,3)9-19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,21)(H,18,20)
InChIKeyZGESYEUHLXQZFD-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.03
Rot. Bonds6

About N-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide

N-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide (PubChem CID 167138828) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide
PubChem CID167138828
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)NCCN2CC(C)(C)C2)cc1NC=O
InChIInChI=1S/C15H22N4O2/c1-11-13(18-10-20)6-12(7-17-11)14(21)16-4-5-19-8-15(2,3)9-19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,21)(H,18,20)
InChIKeyZGESYEUHLXQZFD-UHFFFAOYSA-N
XLogP1.03
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide (CID 167138828) is N-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide is Cc1ncc(C(=O)NCCN2CC(C)(C)C2)cc1NC=O.
What is the InChIKey of N-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide?
The InChIKey is ZGESYEUHLXQZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-13(18-10-20)6-12(7-17-11)14(21)16-4-5-19-8-15(2,3)9-19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,21)(H,18,20).
What are the key properties of N-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide?
N-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylazetidin-1-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 167138828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).