2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide

C27H29N5O2 — CID 171537648

IUPAC2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
SMILESCCc1cc(-c2cc(Oc3ccc4cnn(C)c4c3)ccn2)ccc1C(=O)NC1CN(CC)C1
InChIInChI=1S/C27H29N5O2/c1-4-18-12-19(7-9-24(18)27(33)30-21-16-32(5-2)17-21)25-13-23(10-11-28-25)34-22-8-6-20-15-29-31(3)26(20)14-22/h6-15,21H,4-5,16-17H2,1-3H3,(H,30,33)
InChIKeyJNSNKZQBGLBMIO-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.42
Rot. Bonds7

About 2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide

2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide (PubChem CID 171537648) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
PubChem CID171537648
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
SMILESCCc1cc(-c2cc(Oc3ccc4cnn(C)c4c3)ccn2)ccc1C(=O)NC1CN(CC)C1
InChIInChI=1S/C27H29N5O2/c1-4-18-12-19(7-9-24(18)27(33)30-21-16-32(5-2)17-21)25-13-23(10-11-28-25)34-22-8-6-20-15-29-31(3)26(20)14-22/h6-15,21H,4-5,16-17H2,1-3H3,(H,30,33)
InChIKeyJNSNKZQBGLBMIO-UHFFFAOYSA-N
XLogP4.42
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide
CID 174252687
2-ethyl-N-(5-methyl-5-azaspiro[2.3]hexan-2-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
CID 171537472
N-[2-(dimethylamino)ethyl]-2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
CID 171537525
2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
CID 174252114
4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide
CID 171537632
2-ethyl-N-[(Z)-3-(methylamino)prop-2-enimidoyl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
CID 174250704
4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide
CID 171537621
N-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide
CID 171537861
2-ethyl-N-(1-ethylpyrrolidin-3-yl)-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]benzamide
CID 174247797
4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide
CID 174279392
2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
CID 171537189
N-[(2S,3S)-1,2-dimethylazetidin-3-yl]-2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]benzamide
CID 171537423

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide?
The IUPAC name of 2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide (CID 171537648) is 2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide.
What is the SMILES notation for 2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide?
The canonical SMILES for 2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide is CCc1cc(-c2cc(Oc3ccc4cnn(C)c4c3)ccn2)ccc1C(=O)NC1CN(CC)C1.
What is the InChIKey of 2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide?
The InChIKey is JNSNKZQBGLBMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-4-18-12-19(7-9-24(18)27(33)30-21-16-32(5-2)17-21)25-13-23(10-11-28-25)34-22-8-6-20-15-29-31(3)26(20)14-22/h6-15,21H,4-5,16-17H2,1-3H3,(H,30,33).
What are the key properties of 2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide?
2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide has a molecular weight of 455.56 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide is sourced from PubChem (CID 171537648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).