N-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide

C22H22N6O2 — CID 155745165

IUPACN-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide
SMILESO=CNc1cnccc1-c1nnc(-c2ccncc2NC=O)c2c1CCCCCC2
InChIInChI=1S/C22H22N6O2/c29-13-25-19-11-23-9-7-17(19)21-15-5-3-1-2-4-6-16(15)22(28-27-21)18-8-10-24-12-20(18)26-14-30/h7-14H,1-6H2,(H,25,29)(H,26,30)
InChIKeyOEFVIJUAOGXHNU-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.40
Rot. Bonds6

About N-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide

N-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide (PubChem CID 155745165) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide
PubChem CID155745165
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide
SMILESO=CNc1cnccc1-c1nnc(-c2ccncc2NC=O)c2c1CCCCCC2
InChIInChI=1S/C22H22N6O2/c29-13-25-19-11-23-9-7-17(19)21-15-5-3-1-2-4-6-16(15)22(28-27-21)18-8-10-24-12-20(18)26-14-30/h7-14H,1-6H2,(H,25,29)(H,26,30)
InChIKeyOEFVIJUAOGXHNU-UHFFFAOYSA-N
XLogP3.40
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide with MolForge

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Related Compounds

N-(4-amino-3-pyridinyl)formamide
CID 174896964
N-[4-(4-cyano-3-pyridinyl)-2-pyrrolidin-1-ylphenyl]formamide
CID 168988813
N-(1,6-naphthyridin-2-yl)formamide
CID 87526338
(4-formamido-5,6,7,8-tetrahydronaphthalen-1-yl)-methylcarbamic acid
CID 88844243
N-[4-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide
CID 118936303
7,8-dihydro-6H-isoquinolin-5-one;hydrochloride
CID 23157166
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447667
N-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)formamide
CID 174983433
1-carbamothioyl-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide
CID 80591376
4-(3-fluoro-4-pyridinyl)-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile
CID 122525939
N-(6-methylquinolin-7-yl)formamide
CID 168651780
1-(N'-hydroxycarbamimidoyl)-N-(4-methyl-3-pyridinyl)cyclopentane-1-carboxamide
CID 77011534

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide?
The IUPAC name of N-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide (CID 155745165) is N-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide.
What is the SMILES notation for N-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide?
The canonical SMILES for N-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide is O=CNc1cnccc1-c1nnc(-c2ccncc2NC=O)c2c1CCCCCC2.
What is the InChIKey of N-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide?
The InChIKey is OEFVIJUAOGXHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c29-13-25-19-11-23-9-7-17(19)21-15-5-3-1-2-4-6-16(15)22(28-27-21)18-8-10-24-12-20(18)26-14-30/h7-14H,1-6H2,(H,25,29)(H,26,30).
What are the key properties of N-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide?
N-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide has a molecular weight of 402.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide is sourced from PubChem (CID 155745165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).