N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide

C25H25N5O2 — CID 174620648

IUPACN-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCCc1cnc(-c2ccc(CN)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)[nH]1
InChIInChI=1S/C25H25N5O2/c1-2-20-15-28-24(29-20)18-6-7-19(14-26)23(13-18)30-25(31)17-8-10-22(11-9-17)32-16-21-5-3-4-12-27-21/h3-13,15H,2,14,16,26H2,1H3,(H,28,29)(H,30,31)
InChIKeyNQPYWDGUWSEGHK-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.32
Rot. Bonds8

About N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide

N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 174620648) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID174620648
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCCc1cnc(-c2ccc(CN)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)[nH]1
InChIInChI=1S/C25H25N5O2/c1-2-20-15-28-24(29-20)18-6-7-19(14-26)23(13-18)30-25(31)17-8-10-22(11-9-17)32-16-21-5-3-4-12-27-21/h3-13,15H,2,14,16,26H2,1H3,(H,28,29)(H,30,31)
InChIKeyNQPYWDGUWSEGHK-UHFFFAOYSA-N
XLogP4.32
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68746808
N-[2-chloro-5-(1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68743448
N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 141233579
4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
CID 67379971
N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 86648378
4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide
CID 86648382
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 138036903
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111477995
N-[2-(methylamino)propyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 120828245
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 174620648) is N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide is CCc1cnc(-c2ccc(CN)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)[nH]1.
What is the InChIKey of N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is NQPYWDGUWSEGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-2-20-15-28-24(29-20)18-6-7-19(14-26)23(13-18)30-25(31)17-8-10-22(11-9-17)32-16-21-5-3-4-12-27-21/h3-13,15H,2,14,16,26H2,1H3,(H,28,29)(H,30,31).
What are the key properties of N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 427.51 g/mol, XLogP of 4.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 174620648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).