6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide

C16H17N7O3 — CID 164598963

IUPAC6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1OC1CCC(O)C1
InChIInChI=1S/C16H17N7O3/c1-18-16(25)15-12(26-11-3-2-10(24)4-11)5-13(22-23-15)21-14-8-19-9(6-17)7-20-14/h5,7-8,10-11,24H,2-4H2,1H3,(H,18,25)(H,20,21,22)
InChIKeyRHUYJEXPEPNEFX-UHFFFAOYSA-N
MW355.36 g/mol
LogP0.53
Rot. Bonds5

About 6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide

6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide (PubChem CID 164598963) has the molecular formula C16H17N7O3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide
PubChem CID164598963
Molecular FormulaC16H17N7O3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Name6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1OC1CCC(O)C1
InChIInChI=1S/C16H17N7O3/c1-18-16(25)15-12(26-11-3-2-10(24)4-11)5-13(22-23-15)21-14-8-19-9(6-17)7-20-14/h5,7-8,10-11,24H,2-4H2,1H3,(H,18,25)(H,20,21,22)
InChIKeyRHUYJEXPEPNEFX-UHFFFAOYSA-N
XLogP0.53
TPSA145.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 164599326
4-(1-azaspiro[3.5]nonan-7-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164599198
4-(2-azaspiro[5.5]undecan-9-ylamino)-6-[(5-cyanopyrazin-2-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164599187
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
6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridazine-3-carboxamide;sulfane
CID 167696088
6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate
CID 167685994
4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
CID 164599336
5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 163407467
tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]carbamate
CID 164938333
5-[[6-(3-cyclopentyl-3-hydroxyprop-1-ynyl)-5-[[3-(methylamino)cyclopentyl]amino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164598853
5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594973
5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 170070486

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide (CID 164598963) is 6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2cnc(C#N)cn2)cc1OC1CCC(O)C1.
What is the InChIKey of 6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide?
The InChIKey is RHUYJEXPEPNEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3/c1-18-16(25)15-12(26-11-3-2-10(24)4-11)5-13(22-23-15)21-14-8-19-9(6-17)7-20-14/h5,7-8,10-11,24H,2-4H2,1H3,(H,18,25)(H,20,21,22).
What are the key properties of 6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide?
6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 164598963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).