4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide

C17H20N8O — CID 164599336

IUPAC4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccc(C#N)cn2)cc1NC1CCC(N)C1
InChIInChI=1S/C17H20N8O/c1-20-17(26)16-13(22-12-4-3-11(19)6-12)7-15(24-25-16)23-14-5-2-10(8-18)9-21-14/h2,5,7,9,11-12H,3-4,6,19H2,1H3,(H,20,26)(H2,21,22,23,24)
InChIKeyGIDFPDBRMHCPCS-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.14
Rot. Bonds5

About 4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide

4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide (PubChem CID 164599336) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
PubChem CID164599336
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccc(C#N)cn2)cc1NC1CCC(N)C1
InChIInChI=1S/C17H20N8O/c1-20-17(26)16-13(22-12-4-3-11(19)6-12)7-15(24-25-16)23-14-5-2-10(8-18)9-21-14/h2,5,7,9,11-12H,3-4,6,19H2,1H3,(H,20,26)(H2,21,22,23,24)
InChIKeyGIDFPDBRMHCPCS-UHFFFAOYSA-N
XLogP1.14
TPSA141.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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
6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide
CID 118416740
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
5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164598960
6-[(5-cyanopyrazin-2-yl)amino]-4-(3-hydroxycyclopentyl)oxy-N-methylpyridazine-3-carboxamide
CID 164598963
6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile
CID 103704177
6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
CID 24704980
6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile
CID 43598833
6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile
CID 93287060
6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile
CID 61371820

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide (CID 164599336) is 4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2ccc(C#N)cn2)cc1NC1CCC(N)C1.
What is the InChIKey of 4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is GIDFPDBRMHCPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-20-17(26)16-13(22-12-4-3-11(19)6-12)7-15(24-25-16)23-14-5-2-10(8-18)9-21-14/h2,5,7,9,11-12H,3-4,6,19H2,1H3,(H,20,26)(H2,21,22,23,24).
What are the key properties of 4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide?
4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 164599336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).