N-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide

C20H22N4O3 — CID 164850327

IUPACN-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide
SMILESCC1COCCC1Oc1nn(C)c2cc(NC(=O)c3ccccn3)ccc12
InChIInChI=1S/C20H22N4O3/c1-13-12-26-10-8-18(13)27-20-15-7-6-14(11-17(15)24(2)23-20)22-19(25)16-5-3-4-9-21-16/h3-7,9,11,13,18H,8,10,12H2,1-2H3,(H,22,25)
InChIKeyPLNNBANVMKSQGL-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.02
Rot. Bonds4

About N-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide

N-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide (PubChem CID 164850327) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide
PubChem CID164850327
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide
SMILESCC1COCCC1Oc1nn(C)c2cc(NC(=O)c3ccccn3)ccc12
InChIInChI=1S/C20H22N4O3/c1-13-12-26-10-8-18(13)27-20-15-7-6-14(11-17(15)24(2)23-20)22-19(25)16-5-3-4-9-21-16/h3-7,9,11,13,18H,8,10,12H2,1-2H3,(H,22,25)
InChIKeyPLNNBANVMKSQGL-UHFFFAOYSA-N
XLogP3.02
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[(3S)-oxolan-3-yl]oxy-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
CID 159763887
3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide
CID 167616297
N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide
CID 164850344
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 110744724
N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide
CID 146626709
N-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]pyridine-2-carboxamide
CID 54632742
3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide
CID 165003024
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(pyridine-2-carbonylamino)phenyl]oxamide
CID 3220639
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide
CID 110793268
N-(1-methyl-3-propan-2-yloxyindazol-5-yl)oxane-4-carboxamide
CID 100830658

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide (CID 164850327) is N-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide is CC1COCCC1Oc1nn(C)c2cc(NC(=O)c3ccccn3)ccc12.
What is the InChIKey of N-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide?
The InChIKey is PLNNBANVMKSQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-12-26-10-8-18(13)27-20-15-7-6-14(11-17(15)24(2)23-20)22-19(25)16-5-3-4-9-21-16/h3-7,9,11,13,18H,8,10,12H2,1-2H3,(H,22,25).
What are the key properties of N-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide?
N-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(3-methyloxan-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 164850327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).