N-[3-[(Z)-C-methyl-N-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]pyridine-4-carboxamide

C23H20N6O3 — CID 5431606

IUPACN-[3-[(Z)-C-methyl-N-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]pyridine-4-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(Cn2cccn2)o1)c1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C23H20N6O3/c1-16(18-4-2-5-19(14-18)26-22(30)17-8-11-24-12-9-17)27-28-23(31)21-7-6-20(32-21)15-29-13-3-10-25-29/h2-14H,15H2,1H3,(H,26,30)(H,28,31)/b27-16-
InChIKeyCXGXZBZBBHFFCF-YUMHPJSZSA-N
MW428.45 g/mol
LogP3.33
Rot. Bonds7

About N-[3-[(Z)-C-methyl-N-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]pyridine-4-carboxamide

N-[3-[(Z)-C-methyl-N-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]pyridine-4-carboxamide (PubChem CID 5431606) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[3-[(Z)-C-methyl-N-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(Z)-C-methyl-N-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]pyridine-4-carboxamide
PubChem CID5431606
Molecular FormulaC23H20N6O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC NameN-[3-[(Z)-C-methyl-N-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]pyridine-4-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(Cn2cccn2)o1)c1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C23H20N6O3/c1-16(18-4-2-5-19(14-18)26-22(30)17-8-11-24-12-9-17)27-28-23(31)21-7-6-20(32-21)15-29-13-3-10-25-29/h2-14H,15H2,1H3,(H,26,30)(H,28,31)/b27-16-
InChIKeyCXGXZBZBBHFFCF-YUMHPJSZSA-N
XLogP3.33
TPSA114.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-C-methyl-N-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[(Z)-C-methyl-N-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]pyridine-4-carboxamide (CID 5431606) is N-[3-[(Z)-C-methyl-N-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(Z)-C-methyl-N-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(Z)-C-methyl-N-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]pyridine-4-carboxamide is C/C(=N/NC(=O)c1ccc(Cn2cccn2)o1)c1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[(Z)-C-methyl-N-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is CXGXZBZBBHFFCF-YUMHPJSZSA-N. The full InChI is InChI=1S/C23H20N6O3/c1-16(18-4-2-5-19(14-18)26-22(30)17-8-11-24-12-9-17)27-28-23(31)21-7-6-20(32-21)15-29-13-3-10-25-29/h2-14H,15H2,1H3,(H,26,30)(H,28,31)/b27-16-.
What are the key properties of N-[3-[(Z)-C-methyl-N-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]pyridine-4-carboxamide?
N-[3-[(Z)-C-methyl-N-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]pyridine-4-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-C-methyl-N-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 5431606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).