N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide

C16H21N7O2 — CID 129330963

IUPACN-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(N[C@H]2CCCN(c3ncc[nH]c3=O)C2)nn1
InChIInChI=1S/C16H21N7O2/c1-2-17-15(24)12-5-6-13(22-21-12)20-11-4-3-9-23(10-11)14-16(25)19-8-7-18-14/h5-8,11H,2-4,9-10H2,1H3,(H,17,24)(H,19,25)(H,20,22)/t11-/m0/s1
InChIKeyIRUYDDYQQKKLDT-NSHDSACASA-N
MW343.39 g/mol
LogP0.39
Rot. Bonds5

About N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide

N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide (PubChem CID 129330963) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide
PubChem CID129330963
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC NameN-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(N[C@H]2CCCN(c3ncc[nH]c3=O)C2)nn1
InChIInChI=1S/C16H21N7O2/c1-2-17-15(24)12-5-6-13(22-21-12)20-11-4-3-9-23(10-11)14-16(25)19-8-7-18-14/h5-8,11H,2-4,9-10H2,1H3,(H,17,24)(H,19,25)(H,20,22)/t11-/m0/s1
InChIKeyIRUYDDYQQKKLDT-NSHDSACASA-N
XLogP0.39
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide with MolForge

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Related Compounds

6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide
CID 107173544
6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide
CID 97099971
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 129476538
4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476714
N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 129476803
3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
CID 129476907
3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129473564
3-amino-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 129476469
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiophene-3-carboxamide
CID 129475720
3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 171358910
2-(dimethylamino)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]pyridine-4-carboxamide
CID 129477071
4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476468

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide (CID 129330963) is N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide is CCNC(=O)c1ccc(N[C@H]2CCCN(c3ncc[nH]c3=O)C2)nn1.
What is the InChIKey of N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide?
The InChIKey is IRUYDDYQQKKLDT-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N7O2/c1-2-17-15(24)12-5-6-13(22-21-12)20-11-4-3-9-23(10-11)14-16(25)19-8-7-18-14/h5-8,11H,2-4,9-10H2,1H3,(H,17,24)(H,19,25)(H,20,22)/t11-/m0/s1.
What are the key properties of N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide?
N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 129330963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).