N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-2-carboxamide;N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;N-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyridine-2-carboxamide

C55H48Cl2F3N11O7 — CID 158650549

IUPACN-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-2-carboxamide;N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;N-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccn3)cc2Cl)CC1.COc1cc(NC(=O)c2ccccn2)ccc1Oc1ncccn1.O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)c1ccccn1
InChIInChI=1S/C20H23ClN4O2.C18H11ClF3N3O2.C17H14N4O3/c1-14(2)20(27)25-11-9-24(10-12-25)18-7-6-15(13-16(18)21)23-19(26)17-5-3-4-8-22-17;19-13-9-12(25-17(26)14-3-1-2-8-23-14)5-6-15(13)27-16-7-4-11(10-24-16)18(20,21)22;1-23-15-11-12(21-16(22)13-5-2-3-8-18-13)6-7-14(15)24-17-19-9-4-10-20-17/h3-8,13-14H,9-12H2,1-2H3,(H,23,26);1-10H,(H,25,26);2-11H,1H3,(H,21,22)
InChIKeyIBMOYOXGZIDAIN-UHFFFAOYSA-N
MW1102.96 g/mol
LogP11.41
Rot. Bonds13

About N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-2-carboxamide;N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;N-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyridine-2-carboxamide

N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-2-carboxamide;N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;N-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 158650549) has the molecular formula C55H48Cl2F3N11O7 and a molecular weight of 1102.96 g/mol. Its IUPAC name is N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-2-carboxamide;N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;N-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-2-carboxamide;N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;N-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyridine-2-carboxamide
PubChem CID158650549
Molecular FormulaC55H48Cl2F3N11O7
Molecular Weight1102.96 g/mol
Exact Mass1101.31
IUPAC NameN-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-2-carboxamide;N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;N-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccn3)cc2Cl)CC1.COc1cc(NC(=O)c2ccccn2)ccc1Oc1ncccn1.O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)c1ccccn1
InChIInChI=1S/C20H23ClN4O2.C18H11ClF3N3O2.C17H14N4O3/c1-14(2)20(27)25-11-9-24(10-12-25)18-7-6-15(13-16(18)21)23-19(26)17-5-3-4-8-22-17;19-13-9-12(25-17(26)14-3-1-2-8-23-14)5-6-15(13)27-16-7-4-11(10-24-16)18(20,21)22;1-23-15-11-12(21-16(22)13-5-2-3-8-18-13)6-7-14(15)24-17-19-9-4-10-20-17/h3-8,13-14H,9-12H2,1-2H3,(H,23,26);1-10H,(H,25,26);2-11H,1H3,(H,21,22)
InChIKeyIBMOYOXGZIDAIN-UHFFFAOYSA-N
XLogP11.41
TPSA215.88 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001102.96
LogP ≤ 511.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-2-carboxamide;N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;N-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-2-carboxamide;N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;N-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyridine-2-carboxamide (CID 158650549) is N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-2-carboxamide;N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;N-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-2-carboxamide;N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;N-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-2-carboxamide;N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;N-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyridine-2-carboxamide is CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccn3)cc2Cl)CC1.COc1cc(NC(=O)c2ccccn2)ccc1Oc1ncccn1.O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)c1ccccn1.
What is the InChIKey of N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-2-carboxamide;N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;N-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is IBMOYOXGZIDAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2.C18H11ClF3N3O2.C17H14N4O3/c1-14(2)20(27)25-11-9-24(10-12-25)18-7-6-15(13-16(18)21)23-19(26)17-5-3-4-8-22-17;19-13-9-12(25-17(26)14-3-1-2-8-23-14)5-6-15(13)27-16-7-4-11(10-24-16)18(20,21)22;1-23-15-11-12(21-16(22)13-5-2-3-8-18-13)6-7-14(15)24-17-19-9-4-10-20-17/h3-8,13-14H,9-12H2,1-2H3,(H,23,26);1-10H,(H,25,26);2-11H,1H3,(H,21,22).
What are the key properties of N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-2-carboxamide;N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;N-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyridine-2-carboxamide?
N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-2-carboxamide;N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;N-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 1102.96 g/mol, XLogP of 11.41, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]pyridine-2-carboxamide;N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;N-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 158650549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).