3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide

C29H33N5O3 — CID 70670924

IUPAC3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(OCC)cc(C)cc2C(=O)Nc2ccc(C)cn2)cc1)N1CCCCC1
InChIInChI=1S/C29H33N5O3/c1-4-37-24-17-20(3)16-23(29(36)32-25-13-8-19(2)18-31-25)26(24)33-28(35)22-11-9-21(10-12-22)27(30)34-14-6-5-7-15-34/h8-13,16-18,30H,4-7,14-15H2,1-3H3,(H,33,35)(H,31,32,36)/b30-27-
InChIKeyMMYOHFNOEWOJBW-IKPAITLHSA-N
MW499.62 g/mol
LogP5.41
Rot. Bonds7

About 3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide

3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide (PubChem CID 70670924) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
PubChem CID70670924
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Name3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(OCC)cc(C)cc2C(=O)Nc2ccc(C)cn2)cc1)N1CCCCC1
InChIInChI=1S/C29H33N5O3/c1-4-37-24-17-20(3)16-23(29(36)32-25-13-8-19(2)18-31-25)26(24)33-28(35)22-11-9-21(10-12-22)27(30)34-14-6-5-7-15-34/h8-13,16-18,30H,4-7,14-15H2,1-3H3,(H,33,35)(H,31,32,36)/b30-27-
InChIKeyMMYOHFNOEWOJBW-IKPAITLHSA-N
XLogP5.41
TPSA107.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 59020840
2-[5-chloro-3-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]phenoxy]acetic acid
CID 18727661
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728187
N-(5-bromo-2-pyridinyl)-5-chloro-3-methoxy-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728074
ethyl 1-[4-[[4-chloro-2-[(5-ethynyl-2-pyridinyl)carbamoyl]-6-methoxyphenyl]carbamoyl]benzenecarboximidoyl]piperidine-4-carboxylate
CID 59020758
N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide
CID 59089739
5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide
CID 59089793
5-chloro-N-(5-chloro-2-pyridinyl)-3-morpholin-4-yl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18727887
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide
CID 59089751
N-(4-chlorophenyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728034
CID 89063515
CID 89063515
2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]phenoxy]acetic acid
CID 18727565

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide?
The IUPAC name of 3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide (CID 70670924) is 3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide.
What is the SMILES notation for 3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide?
The canonical SMILES for 3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide is [H]/N=C(/c1ccc(C(=O)Nc2c(OCC)cc(C)cc2C(=O)Nc2ccc(C)cn2)cc1)N1CCCCC1.
What is the InChIKey of 3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide?
The InChIKey is MMYOHFNOEWOJBW-IKPAITLHSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-4-37-24-17-20(3)16-23(29(36)32-25-13-8-19(2)18-31-25)26(24)33-28(35)22-11-9-21(10-12-22)27(30)34-14-6-5-7-15-34/h8-13,16-18,30H,4-7,14-15H2,1-3H3,(H,33,35)(H,31,32,36)/b30-27-.
What are the key properties of 3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide?
3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide has a molecular weight of 499.62 g/mol, XLogP of 5.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 70670924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).