N-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide

C26H27N5O2 — CID 141482489

IUPACN-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(C(C)Oc3ccnc(Nc4cnn(C)c4)c3)c2)cc1
InChIInChI=1S/C26H27N5O2/c1-18-7-9-20(10-8-18)15-28-26(32)22-6-4-5-21(13-22)19(2)33-24-11-12-27-25(14-24)30-23-16-29-31(3)17-23/h4-14,16-17,19H,15H2,1-3H3,(H,27,30)(H,28,32)
InChIKeyVOUVHMKMTMUHHN-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.94
Rot. Bonds8

About N-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide

N-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide (PubChem CID 141482489) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide
PubChem CID141482489
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(C(C)Oc3ccnc(Nc4cnn(C)c4)c3)c2)cc1
InChIInChI=1S/C26H27N5O2/c1-18-7-9-20(10-8-18)15-28-26(32)22-6-4-5-21(13-22)19(2)33-24-11-12-27-25(14-24)30-23-16-29-31(3)17-23/h4-14,16-17,19H,15H2,1-3H3,(H,27,30)(H,28,32)
InChIKeyVOUVHMKMTMUHHN-UHFFFAOYSA-N
XLogP4.94
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide (CID 141482489) is N-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide is Cc1ccc(CNC(=O)c2cccc(C(C)Oc3ccnc(Nc4cnn(C)c4)c3)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide?
The InChIKey is VOUVHMKMTMUHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18-7-9-20(10-8-18)15-28-26(32)22-6-4-5-21(13-22)19(2)33-24-11-12-27-25(14-24)30-23-16-29-31(3)17-23/h4-14,16-17,19H,15H2,1-3H3,(H,27,30)(H,28,32).
What are the key properties of N-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide?
N-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide has a molecular weight of 441.54 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide is sourced from PubChem (CID 141482489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).