N-[1-[2-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide

C29H32N4O3 — CID 2810668

IUPACN-[1-[2-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCc1ccc(Oc2ncccc2NC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)c2c1CCC2
InChIInChI=1S/C29H32N4O3/c1-20-12-13-26(24-10-5-9-23(20)24)36-29-25(11-6-16-30-29)32-27(34)19-33-17-14-22(15-18-33)31-28(35)21-7-3-2-4-8-21/h2-4,6-8,11-13,16,22H,5,9-10,14-15,17-19H2,1H3,(H,31,35)(H,32,34)
InChIKeyAEBZKXJOSOEIFL-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.50
Rot. Bonds7

About N-[1-[2-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide

N-[1-[2-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 2810668) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[1-[2-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
PubChem CID2810668
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC NameN-[1-[2-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCc1ccc(Oc2ncccc2NC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)c2c1CCC2
InChIInChI=1S/C29H32N4O3/c1-20-12-13-26(24-10-5-9-23(20)24)36-29-25(11-6-16-30-29)32-27(34)19-33-17-14-22(15-18-33)31-28(35)21-7-3-2-4-8-21/h2-4,6-8,11-13,16,22H,5,9-10,14-15,17-19H2,1H3,(H,31,35)(H,32,34)
InChIKeyAEBZKXJOSOEIFL-UHFFFAOYSA-N
XLogP4.50
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide (CID 2810668) is N-[1-[2-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide is Cc1ccc(Oc2ncccc2NC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)c2c1CCC2.
What is the InChIKey of N-[1-[2-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The InChIKey is AEBZKXJOSOEIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-20-12-13-26(24-10-5-9-23(20)24)36-29-25(11-6-16-30-29)32-27(34)19-33-17-14-22(15-18-33)31-28(35)21-7-3-2-4-8-21/h2-4,6-8,11-13,16,22H,5,9-10,14-15,17-19H2,1H3,(H,31,35)(H,32,34).
What are the key properties of N-[1-[2-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide?
N-[1-[2-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 484.60 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 2810668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).