5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide

C57H56N8O8 — CID 87727839

IUPAC5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(C(=O)O)nc1.Cc1ccc(C(=O)N2CCC(c3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1NC(=O)c1ccncc1
InChIInChI=1S/C30H32N4O4.C27H24N4O4/c1-21-2-3-26(20-27(21)32-28(35)24-8-12-31-13-9-24)30(37)33-14-10-23(11-15-33)22-4-6-25(7-5-22)29(36)34-16-18-38-19-17-34;1-17-2-5-21(14-24(17)30-25(32)22-8-9-23(27(34)35)29-16-22)26(33)31-12-10-20(11-13-31)19-6-3-18(15-28)4-7-19/h2-9,12-13,20,23H,10-11,14-19H2,1H3,(H,32,35);2-9,14,16,20H,10-13H2,1H3,(H,30,32)(H,34,35)
InChIKeyCENQGDDVRYSICS-UHFFFAOYSA-N
MW981.12 g/mol
LogP8.37
Rot. Bonds10

About 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide

5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide (PubChem CID 87727839) has the molecular formula C57H56N8O8 and a molecular weight of 981.12 g/mol. Its IUPAC name is 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide
PubChem CID87727839
Molecular FormulaC57H56N8O8
Molecular Weight981.12 g/mol
Exact Mass980.42
IUPAC Name5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(C(=O)O)nc1.Cc1ccc(C(=O)N2CCC(c3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1NC(=O)c1ccncc1
InChIInChI=1S/C30H32N4O4.C27H24N4O4/c1-21-2-3-26(20-27(21)32-28(35)24-8-12-31-13-9-24)30(37)33-14-10-23(11-15-33)22-4-6-25(7-5-22)29(36)34-16-18-38-19-17-34;1-17-2-5-21(14-24(17)30-25(32)22-8-9-23(27(34)35)29-16-22)26(33)31-12-10-20(11-13-31)19-6-3-18(15-28)4-7-19/h2-9,12-13,20,23H,10-11,14-19H2,1H3,(H,32,35);2-9,14,16,20H,10-13H2,1H3,(H,30,32)(H,34,35)
InChIKeyCENQGDDVRYSICS-UHFFFAOYSA-N
XLogP8.37
TPSA215.23 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.12
LogP ≤ 58.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide (CID 87727839) is 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(C(=O)O)nc1.Cc1ccc(C(=O)N2CCC(c3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1NC(=O)c1ccncc1.
What is the InChIKey of 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide?
The InChIKey is CENQGDDVRYSICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4.C27H24N4O4/c1-21-2-3-26(20-27(21)32-28(35)24-8-12-31-13-9-24)30(37)33-14-10-23(11-15-33)22-4-6-25(7-5-22)29(36)34-16-18-38-19-17-34;1-17-2-5-21(14-24(17)30-25(32)22-8-9-23(27(34)35)29-16-22)26(33)31-12-10-20(11-13-31)19-6-3-18(15-28)4-7-19/h2-9,12-13,20,23H,10-11,14-19H2,1H3,(H,32,35);2-9,14,16,20H,10-13H2,1H3,(H,30,32)(H,34,35).
What are the key properties of 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide?
5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide has a molecular weight of 981.12 g/mol, XLogP of 8.37, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoyl]pyridine-2-carboxylic acid;N-[2-methyl-5-[4-[4-(morpholine-4-carbonyl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 87727839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).