5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-4-ylpropanoyl]amino]pyridine-2-carboxamide

C27H21ClN6O4 — CID 118981566

IUPAC5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-4-ylpropanoyl]amino]pyridine-2-carboxamide
SMILESCOc1cn(C(Cc2ccncc2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1C#N
InChIInChI=1S/C27H21ClN6O4/c1-38-24-15-34(25(35)12-21(24)20-11-18(28)3-2-17(20)13-29)23(10-16-6-8-31-9-7-16)27(37)33-19-4-5-22(26(30)36)32-14-19/h2-9,11-12,14-15,23H,10H2,1H3,(H2,30,36)(H,33,37)
InChIKeyNISMYJGZMBDALA-UHFFFAOYSA-N
MW528.96 g/mol
LogP3.36
Rot. Bonds8

About 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-4-ylpropanoyl]amino]pyridine-2-carboxamide

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-4-ylpropanoyl]amino]pyridine-2-carboxamide (PubChem CID 118981566) has the molecular formula C27H21ClN6O4 and a molecular weight of 528.96 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-4-ylpropanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-4-ylpropanoyl]amino]pyridine-2-carboxamide
PubChem CID118981566
Molecular FormulaC27H21ClN6O4
Molecular Weight528.96 g/mol
Exact Mass528.13
IUPAC Name5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-4-ylpropanoyl]amino]pyridine-2-carboxamide
SMILESCOc1cn(C(Cc2ccncc2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1C#N
InChIInChI=1S/C27H21ClN6O4/c1-38-24-15-34(25(35)12-21(24)20-11-18(28)3-2-17(20)13-29)23(10-16-6-8-31-9-7-16)27(37)33-19-4-5-22(26(30)36)32-14-19/h2-9,11-12,14-15,23H,10H2,1H3,(H2,30,36)(H,33,37)
InChIKeyNISMYJGZMBDALA-UHFFFAOYSA-N
XLogP3.36
TPSA152.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.96
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
US10421742, Example 124
CID 135204627
US10421742, Example 155
CID 135205309

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-4-ylpropanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-4-ylpropanoyl]amino]pyridine-2-carboxamide (CID 118981566) is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-4-ylpropanoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-4-ylpropanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-4-ylpropanoyl]amino]pyridine-2-carboxamide is COc1cn(C(Cc2ccncc2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1C#N.
What is the InChIKey of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-4-ylpropanoyl]amino]pyridine-2-carboxamide?
The InChIKey is NISMYJGZMBDALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN6O4/c1-38-24-15-34(25(35)12-21(24)20-11-18(28)3-2-17(20)13-29)23(10-16-6-8-31-9-7-16)27(37)33-19-4-5-22(26(30)36)32-14-19/h2-9,11-12,14-15,23H,10H2,1H3,(H2,30,36)(H,33,37).
What are the key properties of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-4-ylpropanoyl]amino]pyridine-2-carboxamide?
5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-4-ylpropanoyl]amino]pyridine-2-carboxamide has a molecular weight of 528.96 g/mol, XLogP of 3.36, 8 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]-3-pyridin-4-ylpropanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 118981566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).