[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate

C22H19N5O4 — CID 68886794

IUPAC[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate
SMILESCn1cc2ccc(NC(=O)c3ccccc3NCc3ccnc(OC(=O)O)c3)cc2n1
InChIInChI=1S/C22H19N5O4/c1-27-13-15-6-7-16(11-19(15)26-27)25-21(28)17-4-2-3-5-18(17)24-12-14-8-9-23-20(10-14)31-22(29)30/h2-11,13,24H,12H2,1H3,(H,25,28)(H,29,30)
InChIKeyMEWITEQZJCOENN-UHFFFAOYSA-N
MW417.43 g/mol
LogP3.89
Rot. Bonds6

About [4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate

[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate (PubChem CID 68886794) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is [4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate
PubChem CID68886794
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC Name[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate
SMILESCn1cc2ccc(NC(=O)c3ccccc3NCc3ccnc(OC(=O)O)c3)cc2n1
InChIInChI=1S/C22H19N5O4/c1-27-13-15-6-7-16(11-19(15)26-27)25-21(28)17-4-2-3-5-18(17)24-12-14-8-9-23-20(10-14)31-22(29)30/h2-11,13,24H,12H2,1H3,(H,25,28)(H,29,30)
InChIKeyMEWITEQZJCOENN-UHFFFAOYSA-N
XLogP3.89
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-[2-(2-methoxyethyl)indazol-5-yl]-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide
CID 68820057
2-[(2-amino-4-pyridinyl)methylamino]-N-(1-methylindazol-6-yl)benzamide
CID 68820475
2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide
CID 11561691
4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxylic acid
CID 59848965
N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methoxypropanoylamino)-4-pyridinyl]methylamino]benzamide
CID 59848898
2-[2-[[4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]-2-pyridinyl]amino]-2-oxoethoxy]acetic acid
CID 69253027
2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide
CID 15008953
ethyl 4-[[4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]-2-pyridinyl]-(4-ethoxy-4-oxobutanoyl)amino]-4-oxobutanoate
CID 69248255
4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 59848902
N-[4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide
CID 59848950

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate (CID 68886794) is [4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate is Cn1cc2ccc(NC(=O)c3ccccc3NCc3ccnc(OC(=O)O)c3)cc2n1.
What is the InChIKey of [4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate?
The InChIKey is MEWITEQZJCOENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4/c1-27-13-15-6-7-16(11-19(15)26-27)25-21(28)17-4-2-3-5-18(17)24-12-14-8-9-23-20(10-14)31-22(29)30/h2-11,13,24H,12H2,1H3,(H,25,28)(H,29,30).
What are the key properties of [4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate?
[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate has a molecular weight of 417.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 68886794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).