N-(1H-indazol-6-yl)-4-[[(Z)-N'-pyridin-2-ylcarbamimidoyl]amino]benzamide

C20H17N7O — CID 143527212

IUPACN-(1H-indazol-6-yl)-4-[[(Z)-N'-pyridin-2-ylcarbamimidoyl]amino]benzamide
SMILESN/C(=N/c1ccccn1)Nc1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C20H17N7O/c21-20(26-18-3-1-2-10-22-18)25-15-7-4-13(5-8-15)19(28)24-16-9-6-14-12-23-27-17(14)11-16/h1-12H,(H,23,27)(H,24,28)(H3,21,22,25,26)
InChIKeyFJRUOONORPJKRP-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.27
Rot. Bonds4

About N-(1H-indazol-6-yl)-4-[[(Z)-N'-pyridin-2-ylcarbamimidoyl]amino]benzamide

N-(1H-indazol-6-yl)-4-[[(Z)-N'-pyridin-2-ylcarbamimidoyl]amino]benzamide (PubChem CID 143527212) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-4-[[(Z)-N'-pyridin-2-ylcarbamimidoyl]amino]benzamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-4-[[(Z)-N'-pyridin-2-ylcarbamimidoyl]amino]benzamide
PubChem CID143527212
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC NameN-(1H-indazol-6-yl)-4-[[(Z)-N'-pyridin-2-ylcarbamimidoyl]amino]benzamide
SMILESN/C(=N/c1ccccn1)Nc1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C20H17N7O/c21-20(26-18-3-1-2-10-22-18)25-15-7-4-13(5-8-15)19(28)24-16-9-6-14-12-23-27-17(14)11-16/h1-12H,(H,23,27)(H,24,28)(H3,21,22,25,26)
InChIKeyFJRUOONORPJKRP-UHFFFAOYSA-N
XLogP3.27
TPSA121.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indazol-6-yl)-4-pyrazol-1-ylbenzamide
CID 36561549
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide
CID 66464887
N-(1H-indazol-6-yl)-N'-pyrimidin-2-yloxamide
CID 108520740
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
N-(1H-indazol-6-yl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 12015819
N-(4-nitrophenyl)-1H-indazole-6-carboxamide
CID 62905610
N-(1H-indazol-6-yl)-2H-benzotriazole-5-carboxamide
CID 36561248
N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide
CID 108530089
N-(1H-indazol-6-yl)quinoline-4-carboxamide
CID 110694915
N-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 69422881
N-(3-ethylphenyl)-1H-indazole-6-carboxamide
CID 60715268

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-4-[[(Z)-N'-pyridin-2-ylcarbamimidoyl]amino]benzamide?
The IUPAC name of N-(1H-indazol-6-yl)-4-[[(Z)-N'-pyridin-2-ylcarbamimidoyl]amino]benzamide (CID 143527212) is N-(1H-indazol-6-yl)-4-[[(Z)-N'-pyridin-2-ylcarbamimidoyl]amino]benzamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-4-[[(Z)-N'-pyridin-2-ylcarbamimidoyl]amino]benzamide?
The canonical SMILES for N-(1H-indazol-6-yl)-4-[[(Z)-N'-pyridin-2-ylcarbamimidoyl]amino]benzamide is N/C(=N/c1ccccn1)Nc1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of N-(1H-indazol-6-yl)-4-[[(Z)-N'-pyridin-2-ylcarbamimidoyl]amino]benzamide?
The InChIKey is FJRUOONORPJKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c21-20(26-18-3-1-2-10-22-18)25-15-7-4-13(5-8-15)19(28)24-16-9-6-14-12-23-27-17(14)11-16/h1-12H,(H,23,27)(H,24,28)(H3,21,22,25,26).
What are the key properties of N-(1H-indazol-6-yl)-4-[[(Z)-N'-pyridin-2-ylcarbamimidoyl]amino]benzamide?
N-(1H-indazol-6-yl)-4-[[(Z)-N'-pyridin-2-ylcarbamimidoyl]amino]benzamide has a molecular weight of 371.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-4-[[(Z)-N'-pyridin-2-ylcarbamimidoyl]amino]benzamide is sourced from PubChem (CID 143527212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).