4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide

C22H20N4O4 — CID 127049868

IUPAC4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1
InChIInChI=1S/C22H20N4O4/c1-24-21(28)15-5-7-16(8-6-15)22(29)26-18-4-2-3-14(9-18)13-30-19-10-17(20(23)27)11-25-12-19/h2-12H,13H2,1H3,(H2,23,27)(H,24,28)(H,26,29)
InChIKeyPBDKDQJQALZKQM-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.37
Rot. Bonds7

About 4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide

4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide (PubChem CID 127049868) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide
PubChem CID127049868
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1
InChIInChI=1S/C22H20N4O4/c1-24-21(28)15-5-7-16(8-6-15)22(29)26-18-4-2-3-14(9-18)13-30-19-10-17(20(23)27)11-25-12-19/h2-12H,13H2,1H3,(H2,23,27)(H,24,28)(H,26,29)
InChIKeyPBDKDQJQALZKQM-UHFFFAOYSA-N
XLogP2.37
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-5-phenylmethoxypyridine-3-carboxamide
CID 123214761
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
6-amino-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62060991
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 91610384
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 78890950
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
4-hydrazinyl-N-[3-(methoxymethyl)phenyl]benzamide
CID 62247351
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089
N-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 139489296
N-methyl-4-phenylmethoxybenzamide
CID 2996745
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide (CID 127049868) is 4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide is CNC(=O)c1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1.
What is the InChIKey of 4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is PBDKDQJQALZKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-24-21(28)15-5-7-16(8-6-15)22(29)26-18-4-2-3-14(9-18)13-30-19-10-17(20(23)27)11-25-12-19/h2-12H,13H2,1H3,(H2,23,27)(H,24,28)(H,26,29).
What are the key properties of 4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide?
4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 127049868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).