N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide

C14H22N4O3 — CID 37150102

IUPACN-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESC[C@@H]1CN([C@H](C)CNC(=O)c2ccc(=O)[nH]n2)C[C@H](C)O1
InChIInChI=1S/C14H22N4O3/c1-9(18-7-10(2)21-11(3)8-18)6-15-14(20)12-4-5-13(19)17-16-12/h4-5,9-11H,6-8H2,1-3H3,(H,15,20)(H,17,19)/t9-,10-,11+/m1/s1
InChIKeyYRXCJLHLQVRPCK-MXWKQRLJSA-N
MW294.36 g/mol
LogP-0.00
Rot. Bonds4

About N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 37150102) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID37150102
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESC[C@@H]1CN([C@H](C)CNC(=O)c2ccc(=O)[nH]n2)C[C@H](C)O1
InChIInChI=1S/C14H22N4O3/c1-9(18-7-10(2)21-11(3)8-18)6-15-14(20)12-4-5-13(19)17-16-12/h4-5,9-11H,6-8H2,1-3H3,(H,15,20)(H,17,19)/t9-,10-,11+/m1/s1
InChIKeyYRXCJLHLQVRPCK-MXWKQRLJSA-N
XLogP-0.00
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 37150102) is N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide is C[C@@H]1CN([C@H](C)CNC(=O)c2ccc(=O)[nH]n2)C[C@H](C)O1.
What is the InChIKey of N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is YRXCJLHLQVRPCK-MXWKQRLJSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(18-7-10(2)21-11(3)8-18)6-15-14(20)12-4-5-13(19)17-16-12/h4-5,9-11H,6-8H2,1-3H3,(H,15,20)(H,17,19)/t9-,10-,11+/m1/s1.
What are the key properties of N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 37150102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).