N-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide

C23H22N6O3 — CID 59987441

IUPACN-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(COc2ccc(NC(=O)Nc3ccc4c(cnn4C)c3)cc2)ccn1
InChIInChI=1S/C23H22N6O3/c1-24-22(30)20-11-15(9-10-25-20)14-32-19-6-3-17(4-7-19)27-23(31)28-18-5-8-21-16(12-18)13-26-29(21)2/h3-13H,14H2,1-2H3,(H,24,30)(H2,27,28,31)
InChIKeyNWFUPJAZMTVYKP-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.55
Rot. Bonds6

About N-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide

N-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide (PubChem CID 59987441) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide
PubChem CID59987441
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC NameN-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(COc2ccc(NC(=O)Nc3ccc4c(cnn4C)c3)cc2)ccn1
InChIInChI=1S/C23H22N6O3/c1-24-22(30)20-11-15(9-10-25-20)14-32-19-6-3-17(4-7-19)27-23(31)28-18-5-8-21-16(12-18)13-26-29(21)2/h3-13H,14H2,1-2H3,(H,24,30)(H2,27,28,31)
InChIKeyNWFUPJAZMTVYKP-UHFFFAOYSA-N
XLogP3.55
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

1-[4-[(2-acetyl-4-pyridinyl)oxy]phenyl]-3-(1-methylindazol-5-yl)urea;N-methyl-4-[4-[(2-methyl-1H-indol-5-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 158679245
1-(1-methylindazol-5-yl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
CID 90879086
3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide
CID 136539914
1-[3-[[2-(dihydroxymethyl)-4-pyridinyl]oxy]phenyl]-3-(1-methylindazol-5-yl)urea
CID 123235839
1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 69240065
benzyl N-(1-methylindazol-5-yl)carbamate
CID 69411375
4-(aminooxymethyl)-N-methylpyridine-2-carboxamide
CID 142264154
4-[4-(2H-benzotriazol-5-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 10318982
1-[4-[(2-cyano-4-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]-3-(1-methylindazol-5-yl)urea
CID 10049516
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[4-[(3-cyanophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002070

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide (CID 59987441) is N-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide is CNC(=O)c1cc(COc2ccc(NC(=O)Nc3ccc4c(cnn4C)c3)cc2)ccn1.
What is the InChIKey of N-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide?
The InChIKey is NWFUPJAZMTVYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-24-22(30)20-11-15(9-10-25-20)14-32-19-6-3-17(4-7-19)27-23(31)28-18-5-8-21-16(12-18)13-26-29(21)2/h3-13H,14H2,1-2H3,(H,24,30)(H2,27,28,31).
What are the key properties of N-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide?
N-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 59987441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).