2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide

C32H36ClN5O6 — CID 158218953

IUPAC2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide
SMILESCON(C)C(=O)c1ccnc(Cl)c1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C(=O)N(C)OC)ccn2)cc1
InChIInChI=1S/C24H27N3O4.C8H9ClN2O2/c1-26(31-4)24(28)20-13-14-25-23(15-20)27(16-18-5-9-21(29-2)10-6-18)17-19-7-11-22(30-3)12-8-19;1-11(13-2)8(12)6-3-4-10-7(9)5-6/h5-15H,16-17H2,1-4H3;3-5H,1-2H3
InChIKeyGCZXDMSIUIQBDT-UHFFFAOYSA-N
MW622.12 g/mol
LogP5.31
Rot. Bonds11

About 2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide

2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide (PubChem CID 158218953) has the molecular formula C32H36ClN5O6 and a molecular weight of 622.12 g/mol. Its IUPAC name is 2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide
PubChem CID158218953
Molecular FormulaC32H36ClN5O6
Molecular Weight622.12 g/mol
Exact Mass621.24
IUPAC Name2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide
SMILESCON(C)C(=O)c1ccnc(Cl)c1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C(=O)N(C)OC)ccn2)cc1
InChIInChI=1S/C24H27N3O4.C8H9ClN2O2/c1-26(31-4)24(28)20-13-14-25-23(15-20)27(16-18-5-9-21(29-2)10-6-18)17-19-7-11-22(30-3)12-8-19;1-11(13-2)8(12)6-3-4-10-7(9)5-6/h5-15H,16-17H2,1-4H3;3-5H,1-2H3
InChIKeyGCZXDMSIUIQBDT-UHFFFAOYSA-N
XLogP5.31
TPSA106.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.12
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide (CID 158218953) is 2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide is CON(C)C(=O)c1ccnc(Cl)c1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C(=O)N(C)OC)ccn2)cc1.
What is the InChIKey of 2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide?
The InChIKey is GCZXDMSIUIQBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4.C8H9ClN2O2/c1-26(31-4)24(28)20-13-14-25-23(15-20)27(16-18-5-9-21(29-2)10-6-18)17-19-7-11-22(30-3)12-8-19;1-11(13-2)8(12)6-3-4-10-7(9)5-6/h5-15H,16-17H2,1-4H3;3-5H,1-2H3.
What are the key properties of 2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide?
2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide has a molecular weight of 622.12 g/mol, XLogP of 5.31, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 158218953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).