1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide

C22H22N4O4 — CID 24646071

IUPAC1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(=O)NCc3ccc(OC)nc3)cc2)cn1
InChIInChI=1S/C22H22N4O4/c1-29-19-9-3-15(11-23-19)13-25-21(27)17-5-7-18(8-6-17)22(28)26-14-16-4-10-20(30-2)24-12-16/h3-12H,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyXEASUGVRXPKNRR-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.35
Rot. Bonds8

About 1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 24646071) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
PubChem CID24646071
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(=O)NCc3ccc(OC)nc3)cc2)cn1
InChIInChI=1S/C22H22N4O4/c1-29-19-9-3-15(11-23-19)13-25-21(27)17-5-7-18(8-6-17)22(28)26-14-16-4-10-20(30-2)24-12-16/h3-12H,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyXEASUGVRXPKNRR-UHFFFAOYSA-N
XLogP2.35
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 62991496
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 55152846
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 103955476
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 61275557
3-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 51306028
N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998680
2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114326282
N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 16602215
3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51305940

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide (CID 24646071) is 1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide is COc1ccc(CNC(=O)c2ccc(C(=O)NCc3ccc(OC)nc3)cc2)cn1.
What is the InChIKey of 1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is XEASUGVRXPKNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-29-19-9-3-15(11-23-19)13-25-21(27)17-5-7-18(8-6-17)22(28)26-14-16-4-10-20(30-2)24-12-16/h3-12H,13-14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 406.44 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 24646071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).