N-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide

C21H18N6O2 — CID 171349662

IUPACN-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide
SMILESNCC(=O)Nc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1
InChIInChI=1S/C21H18N6O2/c22-10-19(28)24-16-8-15(11-23-12-16)14-6-7-18-17(9-14)20(27-26-18)25-21(29)13-4-2-1-3-5-13/h1-9,11-12H,10,22H2,(H,24,28)(H2,25,26,27,29)
InChIKeyNTSSUJCNVYPSDG-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.77
Rot. Bonds5

About N-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide

N-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide (PubChem CID 171349662) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide
PubChem CID171349662
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC NameN-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide
SMILESNCC(=O)Nc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1
InChIInChI=1S/C21H18N6O2/c22-10-19(28)24-16-8-15(11-23-12-16)14-6-7-18-17(9-14)20(27-26-18)25-21(29)13-4-2-1-3-5-13/h1-9,11-12H,10,22H2,(H,24,28)(H2,25,26,27,29)
InChIKeyNTSSUJCNVYPSDG-UHFFFAOYSA-N
XLogP2.77
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide
CID 171349998
N-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide
CID 171347757
N-(5-hydroxy-1H-indazol-3-yl)benzamide
CID 45086916
3-benzamido-1H-indazole-5-carboxylic acid
CID 129093990
N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137088318
2-phenyl-N-(5-phenyl-1H-indazol-3-yl)acetamide
CID 169493092
2-amino-N-(1H-indazol-3-yl)acetamide;hydrochloride
CID 130729532
N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137115245
3-benzamido-N-(3-hydroxyphenyl)-1H-indazole-5-carboxamide
CID 142752240
N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136643030
N-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136509566
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137116846

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide?
The IUPAC name of N-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide (CID 171349662) is N-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide is NCC(=O)Nc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1.
What is the InChIKey of N-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide?
The InChIKey is NTSSUJCNVYPSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c22-10-19(28)24-16-8-15(11-23-12-16)14-6-7-18-17(9-14)20(27-26-18)25-21(29)13-4-2-1-3-5-13/h1-9,11-12H,10,22H2,(H,24,28)(H2,25,26,27,29).
What are the key properties of N-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide?
N-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide has a molecular weight of 386.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 171349662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).