2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide

C27H26ClN5O3 — CID 92819857

IUPAC2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCc2ccc(-c3ncc(-c4ccc(N5CCOCC5)cc4)[nH]3)cc2)cc(Cl)n1
InChIInChI=1S/C27H26ClN5O3/c1-35-25-15-21(14-24(28)32-25)27(34)30-16-18-2-4-20(5-3-18)26-29-17-23(31-26)19-6-8-22(9-7-19)33-10-12-36-13-11-33/h2-9,14-15,17H,10-13,16H2,1H3,(H,29,31)(H,30,34)
InChIKeyCJAAVNMJQANIQN-UHFFFAOYSA-N
MW503.99 g/mol
LogP4.57
Rot. Bonds7

About 2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide

2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide (PubChem CID 92819857) has the molecular formula C27H26ClN5O3 and a molecular weight of 503.99 g/mol. Its IUPAC name is 2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide
PubChem CID92819857
Molecular FormulaC27H26ClN5O3
Molecular Weight503.99 g/mol
Exact Mass503.17
IUPAC Name2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCc2ccc(-c3ncc(-c4ccc(N5CCOCC5)cc4)[nH]3)cc2)cc(Cl)n1
InChIInChI=1S/C27H26ClN5O3/c1-35-25-15-21(14-24(28)32-25)27(34)30-16-18-2-4-20(5-3-18)26-29-17-23(31-26)19-6-8-22(9-7-19)33-10-12-36-13-11-33/h2-9,14-15,17H,10-13,16H2,1H3,(H,29,31)(H,30,34)
InChIKeyCJAAVNMJQANIQN-UHFFFAOYSA-N
XLogP4.57
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.99
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide
CID 91633898
2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 26662569
4-[5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-N-(cyanomethyl)benzamide
CID 159699553
3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide
CID 166205855
2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide
CID 35616071
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 46089765
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450
4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine
CID 58874981
N-[(2-methoxy-4-pyridinyl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 18167458
N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide
CID 15956177
3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 110405123

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide (CID 92819857) is 2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide is COc1cc(C(=O)NCc2ccc(-c3ncc(-c4ccc(N5CCOCC5)cc4)[nH]3)cc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is CJAAVNMJQANIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O3/c1-35-25-15-21(14-24(28)32-25)27(34)30-16-18-2-4-20(5-3-18)26-29-17-23(31-26)19-6-8-22(9-7-19)33-10-12-36-13-11-33/h2-9,14-15,17H,10-13,16H2,1H3,(H,29,31)(H,30,34).
What are the key properties of 2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide?
2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 503.99 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 92819857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).