N-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen

C25H31N5O — CID 156814190

IUPACN-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen
SMILESCc1nnccc1C(=O)NCc1ccc2[nH]c(-c3ccccc3CN(C)C)c(C)c2c1.[H][H].[H][H]
InChIInChI=1S/C25H27N5O.2H2/c1-16-22-13-18(14-26-25(31)20-11-12-27-29-17(20)2)9-10-23(22)28-24(16)21-8-6-5-7-19(21)15-30(3)4;;/h5-13,28H,14-15H2,1-4H3,(H,26,31);2*1H
InChIKeyYBRDLGVITQICFU-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.73
Rot. Bonds6

About N-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen

N-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen (PubChem CID 156814190) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is N-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen
PubChem CID156814190
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC NameN-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen
SMILESCc1nnccc1C(=O)NCc1ccc2[nH]c(-c3ccccc3CN(C)C)c(C)c2c1.[H][H].[H][H]
InChIInChI=1S/C25H27N5O.2H2/c1-16-22-13-18(14-26-25(31)20-11-12-27-29-17(20)2)9-10-23(22)28-24(16)21-8-6-5-7-19(21)15-30(3)4;;/h5-13,28H,14-15H2,1-4H3,(H,26,31);2*1H
InChIKeyYBRDLGVITQICFU-UHFFFAOYSA-N
XLogP4.73
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 56862846
ethane;N-[[2-(2-methoxyphenyl)-3-methyl-1H-indol-5-yl]methyl]-4-methylpyrimidine-5-carboxamide;4-methyl-N-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide;molecular hydrogen
CID 156814121
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26447386
[2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate
CID 175322460
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide
CID 56864638
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 25487904
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 70730908
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
CID 42288017
2-(cyclopropylmethoxy)-5-[2-[(dimethylamino)methyl]phenyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide
CID 126629343
4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide
CID 175572199
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1H-indole-2-carboxamide
CID 110851797
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060903

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen?
The IUPAC name of N-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen (CID 156814190) is N-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen?
The canonical SMILES for N-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen is Cc1nnccc1C(=O)NCc1ccc2[nH]c(-c3ccccc3CN(C)C)c(C)c2c1.[H][H].[H][H].
What is the InChIKey of N-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen?
The InChIKey is YBRDLGVITQICFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O.2H2/c1-16-22-13-18(14-26-25(31)20-11-12-27-29-17(20)2)9-10-23(22)28-24(16)21-8-6-5-7-19(21)15-30(3)4;;/h5-13,28H,14-15H2,1-4H3,(H,26,31);2*1H.
What are the key properties of N-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen?
N-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen has a molecular weight of 417.56 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen is sourced from PubChem (CID 156814190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).