5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide

C25H24ClN5O5 — CID 118981595

IUPAC5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)cn1
InChIInChI=1S/C25H24ClN5O5/c1-28-24(33)20-7-6-17(13-29-20)30-25(34)21(8-9-35-2)31-14-22(36-3)19(11-23(31)32)18-10-16(26)5-4-15(18)12-27/h4-7,10-11,13-14,21H,8-9H2,1-3H3,(H,28,33)(H,30,34)
InChIKeyGJICZHHNZMRIMN-UHFFFAOYSA-N
MW509.95 g/mol
LogP3.02
Rot. Bonds9

About 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 118981595) has the molecular formula C25H24ClN5O5 and a molecular weight of 509.95 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
PubChem CID118981595
Molecular FormulaC25H24ClN5O5
Molecular Weight509.95 g/mol
Exact Mass509.15
IUPAC Name5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)cn1
InChIInChI=1S/C25H24ClN5O5/c1-28-24(33)20-7-6-17(13-29-20)30-25(34)21(8-9-35-2)31-14-22(36-3)19(11-23(31)32)18-10-16(26)5-4-15(18)12-27/h4-7,10-11,13-14,21H,8-9H2,1-3H3,(H,28,33)(H,30,34)
InChIKeyGJICZHHNZMRIMN-UHFFFAOYSA-N
XLogP3.02
TPSA135.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.95
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

US10167280, Example 53
CID 118981673
US10167280, Example 37
CID 121245865
US10167280, Example 13
CID 121245924
US10167280, Example 12
CID 121245966
US10167280, Example 41
CID 121245973
US10167280, Example 46
CID 121245974
US10167280, Example 47
CID 121245982
US10167280, Example 31
CID 121245983
US10167280, Example 50
CID 121245987
US10167280, Example 7
CID 121246011
US10077265, Example 11
CID 121246717
US10077265, Example 12
CID 121246719

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (CID 118981595) is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)cn1.
What is the InChIKey of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is GJICZHHNZMRIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O5/c1-28-24(33)20-7-6-17(13-29-20)30-25(34)21(8-9-35-2)31-14-22(36-3)19(11-23(31)32)18-10-16(26)5-4-15(18)12-27/h4-7,10-11,13-14,21H,8-9H2,1-3H3,(H,28,33)(H,30,34).
What are the key properties of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 509.95 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 118981595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).