2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide

C25H26N4O3 — CID 2986326

IUPAC2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H26N4O3/c30-24(21-9-7-19(8-10-21)18-29-12-14-32-15-13-29)28-23-6-2-1-5-22(23)25(31)27-17-20-4-3-11-26-16-20/h1-11,16H,12-15,17-18H2,(H,27,31)(H,28,30)
InChIKeyCIVZCRXXGHUURU-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.10
Rot. Bonds7

About 2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide

2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 2986326) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID2986326
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H26N4O3/c30-24(21-9-7-19(8-10-21)18-29-12-14-32-15-13-29)28-23-6-2-1-5-22(23)25(31)27-17-20-4-3-11-26-16-20/h1-11,16H,12-15,17-18H2,(H,27,31)(H,28,30)
InChIKeyCIVZCRXXGHUURU-UHFFFAOYSA-N
XLogP3.10
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 38100390
1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 45008188
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide
CID 3259740
2-[(3-chlorobenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 6457396
N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 28565234
1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925587
(3S)-1-[(4-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 38100346
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17418127
2-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 31972800

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide (CID 2986326) is 2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide is O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is CIVZCRXXGHUURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-24(21-9-7-19(8-10-21)18-29-12-14-32-15-13-29)28-23-6-2-1-5-22(23)25(31)27-17-20-4-3-11-26-16-20/h1-11,16H,12-15,17-18H2,(H,27,31)(H,28,30).
What are the key properties of 2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 430.51 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 2986326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).