6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide

C21H23N5O3 — CID 135303921

IUPAC6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cc(-c2ccc(N(C)C)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C21H23N5O3/c1-14(13-27)23-20(28)18-11-19(15-6-8-16(9-7-15)25(2)3)24-26(21(18)29)17-5-4-10-22-12-17/h4-12,14,27H,13H2,1-3H3,(H,23,28)/t14-/m0/s1
InChIKeyQNSQUOAAWRTZDJ-AWEZNQCLSA-N
MW393.45 g/mol
LogP1.47
Rot. Bonds6

About 6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide

6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide (PubChem CID 135303921) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
PubChem CID135303921
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cc(-c2ccc(N(C)C)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C21H23N5O3/c1-14(13-27)23-20(28)18-11-19(15-6-8-16(9-7-15)25(2)3)24-26(21(18)29)17-5-4-10-22-12-17/h4-12,14,27H,13H2,1-3H3,(H,23,28)/t14-/m0/s1
InChIKeyQNSQUOAAWRTZDJ-AWEZNQCLSA-N
XLogP1.47
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide (CID 135303921) is 6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide is C[C@@H](CO)NC(=O)c1cc(-c2ccc(N(C)C)cc2)nn(-c2cccnc2)c1=O.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The InChIKey is QNSQUOAAWRTZDJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-14(13-27)23-20(28)18-11-19(15-6-8-16(9-7-15)25(2)3)24-26(21(18)29)17-5-4-10-22-12-17/h4-12,14,27H,13H2,1-3H3,(H,23,28)/t14-/m0/s1.
What are the key properties of 6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide is sourced from PubChem (CID 135303921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).