N-[(4-methylphenyl)methyl]-3-[1-[[2-(piperidin-1-ylamino)-4-pyridinyl]oxy]ethyl]benzamide

C27H32N4O2 — CID 141482503

IUPACN-[(4-methylphenyl)methyl]-3-[1-[[2-(piperidin-1-ylamino)-4-pyridinyl]oxy]ethyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(C(C)Oc3ccnc(NN4CCCCC4)c3)c2)cc1
InChIInChI=1S/C27H32N4O2/c1-20-9-11-22(12-10-20)19-29-27(32)24-8-6-7-23(17-24)21(2)33-25-13-14-28-26(18-25)30-31-15-4-3-5-16-31/h6-14,17-18,21H,3-5,15-16,19H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyDYZINFGCPAROKK-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.27
Rot. Bonds8

About N-[(4-methylphenyl)methyl]-3-[1-[[2-(piperidin-1-ylamino)-4-pyridinyl]oxy]ethyl]benzamide

N-[(4-methylphenyl)methyl]-3-[1-[[2-(piperidin-1-ylamino)-4-pyridinyl]oxy]ethyl]benzamide (PubChem CID 141482503) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-[1-[[2-(piperidin-1-ylamino)-4-pyridinyl]oxy]ethyl]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-[1-[[2-(piperidin-1-ylamino)-4-pyridinyl]oxy]ethyl]benzamide
PubChem CID141482503
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN-[(4-methylphenyl)methyl]-3-[1-[[2-(piperidin-1-ylamino)-4-pyridinyl]oxy]ethyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(C(C)Oc3ccnc(NN4CCCCC4)c3)c2)cc1
InChIInChI=1S/C27H32N4O2/c1-20-9-11-22(12-10-20)19-29-27(32)24-8-6-7-23(17-24)21(2)33-25-13-14-28-26(18-25)30-31-15-4-3-5-16-31/h6-14,17-18,21H,3-5,15-16,19H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyDYZINFGCPAROKK-UHFFFAOYSA-N
XLogP5.27
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-3-[1-[[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-4-pyridinyl]oxy]ethyl]benzamide
CID 145949714
N-[(2S)-4-(hydroxyamino)-1-[4-[3-[(4-methoxy-2-pyridinyl)amino]propoxy]phenyl]-4-oxobutan-2-yl]-4-propan-2-yloxybenzamide
CID 90654505
N-[(4-methylphenyl)methyl]-3-[1-[[2-[(4-methylpiperazin-1-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide
CID 141482476
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-[1-[[2-[(4-methylpiperazin-1-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide
CID 141482477
3-[1-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 141482479
N-[(4-methylphenyl)methyl]-3-[1-[[2-(pyrimidin-2-ylamino)-3-pyridinyl]oxy]ethyl]benzamide
CID 141482480
N-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide
CID 141482489
N-[(4-methylphenyl)methyl]-3-[1-[[2-(1,2,4-triazol-4-ylamino)-3-pyridinyl]oxy]ethyl]benzamide
CID 141482494
N-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide
CID 141482502
2-amino-N-[(1R)-1-phenylethyl]-6H-isochromeno[3,4-c] pyridine-8-carboxamide
CID 121363533
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c] pyridine-8-carboxamide
CID 121363587
(+-)-N-[(6-amino-2,4-dimethylpyridin-3-yl)-methyl]-12-(4-methoxypyridin-3-yl)-15-oxatetracyclo[6.6.1.02,7.09,14] pentadeca-2,4,6,9,11,13-hexaene-4-carboxamide
CID 124131860

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-[1-[[2-(piperidin-1-ylamino)-4-pyridinyl]oxy]ethyl]benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-[1-[[2-(piperidin-1-ylamino)-4-pyridinyl]oxy]ethyl]benzamide (CID 141482503) is N-[(4-methylphenyl)methyl]-3-[1-[[2-(piperidin-1-ylamino)-4-pyridinyl]oxy]ethyl]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-[1-[[2-(piperidin-1-ylamino)-4-pyridinyl]oxy]ethyl]benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-[1-[[2-(piperidin-1-ylamino)-4-pyridinyl]oxy]ethyl]benzamide is Cc1ccc(CNC(=O)c2cccc(C(C)Oc3ccnc(NN4CCCCC4)c3)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-[1-[[2-(piperidin-1-ylamino)-4-pyridinyl]oxy]ethyl]benzamide?
The InChIKey is DYZINFGCPAROKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-20-9-11-22(12-10-20)19-29-27(32)24-8-6-7-23(17-24)21(2)33-25-13-14-28-26(18-25)30-31-15-4-3-5-16-31/h6-14,17-18,21H,3-5,15-16,19H2,1-2H3,(H,28,30)(H,29,32).
What are the key properties of N-[(4-methylphenyl)methyl]-3-[1-[[2-(piperidin-1-ylamino)-4-pyridinyl]oxy]ethyl]benzamide?
N-[(4-methylphenyl)methyl]-3-[1-[[2-(piperidin-1-ylamino)-4-pyridinyl]oxy]ethyl]benzamide has a molecular weight of 444.58 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-[1-[[2-(piperidin-1-ylamino)-4-pyridinyl]oxy]ethyl]benzamide is sourced from PubChem (CID 141482503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).