2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide

C21H20N6O — CID 68820475

IUPAC2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide
SMILESCn1ncc2ccc(NC(=O)c3ccccc3NCc3ccnc(N)c3)cc21
InChIInChI=1S/C21H20N6O/c1-27-19-11-16(7-6-15(19)13-25-27)26-21(28)17-4-2-3-5-18(17)24-12-14-8-9-23-20(22)10-14/h2-11,13,24H,12H2,1H3,(H2,22,23)(H,26,28)
InChIKeyPDISXIPVSYOIQX-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.41
Rot. Bonds5

About 2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide

2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide (PubChem CID 68820475) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide
PubChem CID68820475
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide
SMILESCn1ncc2ccc(NC(=O)c3ccccc3NCc3ccnc(N)c3)cc21
InChIInChI=1S/C21H20N6O/c1-27-19-11-16(7-6-15(19)13-25-27)26-21(28)17-4-2-3-5-18(17)24-12-14-8-9-23-20(22)10-14/h2-11,13,24H,12H2,1H3,(H2,22,23)(H,26,28)
InChIKeyPDISXIPVSYOIQX-UHFFFAOYSA-N
XLogP3.41
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-amino-4-pyridinyl)methylamino]-N-isoquinolin-3-ylbenzamide
CID 58763653
2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide
CID 23118972
N-(2-methylindazol-6-yl)-2-(pyridin-4-ylmethylamino)benzamide
CID 141140513
[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate
CID 68886794
2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide
CID 110485992
N-(1-methylindazol-6-yl)pyridine-3-carboxamide
CID 110461644
2-[(2-amino-4-pyridinyl)methylamino]phenol
CID 105468629
N-(1-methylindazol-6-yl)-1,3-thiazole-2-carboxamide
CID 110467967
4-[(2-methylanilino)methyl]pyridin-2-amine
CID 105466971
N-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide
CID 68820057
3-fluoro-N-(1-methylindazol-6-yl)benzamide
CID 110462740
4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxylic acid
CID 59848965

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide?
The IUPAC name of 2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide (CID 68820475) is 2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide is Cn1ncc2ccc(NC(=O)c3ccccc3NCc3ccnc(N)c3)cc21.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide?
The InChIKey is PDISXIPVSYOIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-27-19-11-16(7-6-15(19)13-25-27)26-21(28)17-4-2-3-5-18(17)24-12-14-8-9-23-20(22)10-14/h2-11,13,24H,12H2,1H3,(H2,22,23)(H,26,28).
What are the key properties of 2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide?
2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide has a molecular weight of 372.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide is sourced from PubChem (CID 68820475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).