6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide

C21H21N9O — CID 164598967

IUPAC6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide
SMILESN#Cc1cnc(Nc2cc(NCC3CCNC3)c(C(=O)Nc3ccccc3)nn2)cn1
InChIInChI=1S/C21H21N9O/c22-9-16-12-26-19(13-24-16)28-18-8-17(25-11-14-6-7-23-10-14)20(30-29-18)21(31)27-15-4-2-1-3-5-15/h1-5,8,12-14,23H,6-7,10-11H2,(H,27,31)(H2,25,26,28,29)
InChIKeyUQXQZRNWTDOSIY-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.16
Rot. Bonds7

About 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide

6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 164598967) has the molecular formula C21H21N9O and a molecular weight of 415.46 g/mol. Its IUPAC name is 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide
PubChem CID164598967
Molecular FormulaC21H21N9O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC Name6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide
SMILESN#Cc1cnc(Nc2cc(NCC3CCNC3)c(C(=O)Nc3ccccc3)nn2)cn1
InChIInChI=1S/C21H21N9O/c22-9-16-12-26-19(13-24-16)28-18-8-17(25-11-14-6-7-23-10-14)20(30-29-18)21(31)27-15-4-2-1-3-5-15/h1-5,8,12-14,23H,6-7,10-11H2,(H,27,31)(H2,25,26,28,29)
InChIKeyUQXQZRNWTDOSIY-UHFFFAOYSA-N
XLogP2.16
TPSA140.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

5-[[5-(piperidin-4-ylmethylamino)-6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164599291
5-[[5-(piperidin-4-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 175303051
4-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164599196
5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595069
6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane
CID 167696088
N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide
CID 42610172
6-[(5-cyanopyrazin-2-yl)amino]-N-[(3,5-dimethyl-4-pyridinyl)methyl]-4-(morpholin-2-ylmethylamino)pyridazine-3-carboxamide
CID 164599379
6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide
CID 164599054
5-[[6-(3-hydroxy-3-methylbut-1-ynyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594895
6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane
CID 143784563
6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
CID 59613342
4-(1-azaspiro[3.5]nonan-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164599198

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide (CID 164598967) is 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide is N#Cc1cnc(Nc2cc(NCC3CCNC3)c(C(=O)Nc3ccccc3)nn2)cn1.
What is the InChIKey of 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is UQXQZRNWTDOSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9O/c22-9-16-12-26-19(13-24-16)28-18-8-17(25-11-14-6-7-23-10-14)20(30-29-18)21(31)27-15-4-2-1-3-5-15/h1-5,8,12-14,23H,6-7,10-11H2,(H,27,31)(H2,25,26,28,29).
What are the key properties of 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide?
6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 2.16, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyanopyrazin-2-yl)amino]-N-phenyl-4-(pyrrolidin-3-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 164598967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).