6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide

C16H17N5O3 — CID 167777693

IUPAC6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CN(C(=O)c3ccncc3)C2)n[nH]1
InChIInChI=1S/C16H17N5O3/c1-10-6-13(22)14(20-19-10)15(23)18-7-11-8-21(9-11)16(24)12-2-4-17-5-3-12/h2-6,11H,7-9H2,1H3,(H,18,23)(H,19,22)
InChIKeyUTVOBUNVZHCPTE-UHFFFAOYSA-N
MW327.34 g/mol
LogP-0.02
Rot. Bonds4

About 6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide

6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide (PubChem CID 167777693) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
PubChem CID167777693
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CN(C(=O)c3ccncc3)C2)n[nH]1
InChIInChI=1S/C16H17N5O3/c1-10-6-13(22)14(20-19-10)15(23)18-7-11-8-21(9-11)16(24)12-2-4-17-5-3-12/h2-6,11H,7-9H2,1H3,(H,18,23)(H,19,22)
InChIKeyUTVOBUNVZHCPTE-UHFFFAOYSA-N
XLogP-0.02
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide (CID 167777693) is 6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC2CN(C(=O)c3ccncc3)C2)n[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide?
The InChIKey is UTVOBUNVZHCPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10-6-13(22)14(20-19-10)15(23)18-7-11-8-21(9-11)16(24)12-2-4-17-5-3-12/h2-6,11H,7-9H2,1H3,(H,18,23)(H,19,22).
What are the key properties of 6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide?
6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[[1-(pyridine-4-carbonyl)azetidin-3-yl]methyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 167777693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).