4-(aminomethyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide

C25H26N4O — CID 171792065

IUPAC4-(aminomethyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide
SMILESCc1cc(CN)ccc1C(=O)NC(C)c1cc(-c2cnn(C)c2)cc2ccccc12
InChIInChI=1S/C25H26N4O/c1-16-10-18(13-26)8-9-22(16)25(30)28-17(2)24-12-20(21-14-27-29(3)15-21)11-19-6-4-5-7-23(19)24/h4-12,14-15,17H,13,26H2,1-3H3,(H,28,30)
InChIKeyLPHZJKYPRUJZOA-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.50
Rot. Bonds5

About 4-(aminomethyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide

4-(aminomethyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide (PubChem CID 171792065) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide
PubChem CID171792065
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name4-(aminomethyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide
SMILESCc1cc(CN)ccc1C(=O)NC(C)c1cc(-c2cnn(C)c2)cc2ccccc12
InChIInChI=1S/C25H26N4O/c1-16-10-18(13-26)8-9-22(16)25(30)28-17(2)24-12-20(21-14-27-29(3)15-21)11-19-6-4-5-7-23(19)24/h4-12,14-15,17H,13,26H2,1-3H3,(H,28,30)
InChIKeyLPHZJKYPRUJZOA-UHFFFAOYSA-N
XLogP4.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide?
The IUPAC name of 4-(aminomethyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide (CID 171792065) is 4-(aminomethyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide is Cc1cc(CN)ccc1C(=O)NC(C)c1cc(-c2cnn(C)c2)cc2ccccc12.
What is the InChIKey of 4-(aminomethyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide?
The InChIKey is LPHZJKYPRUJZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-16-10-18(13-26)8-9-22(16)25(30)28-17(2)24-12-20(21-14-27-29(3)15-21)11-19-6-4-5-7-23(19)24/h4-12,14-15,17H,13,26H2,1-3H3,(H,28,30).
What are the key properties of 4-(aminomethyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide?
4-(aminomethyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide has a molecular weight of 398.51 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide is sourced from PubChem (CID 171792065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).