1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid

C30H34BCl3N10O4 — CID 159769969

IUPAC1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid
SMILESNC(=O)C1CCN(c2c(Cl)cncc2-c2cncnc2)CC1.NC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1.OB(O)c1cncnc1
InChIInChI=1S/C15H16ClN5O.C11H13Cl2N3O.C4H5BN2O2/c16-13-8-18-7-12(11-5-19-9-20-6-11)14(13)21-3-1-10(2-4-21)15(17)22;12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17;8-5(9)4-1-6-3-7-2-4/h5-10H,1-4H2,(H2,17,22);5-7H,1-4H2,(H2,14,17);1-3,8-9H
InChIKeyNFZJISDSMCHZIS-UHFFFAOYSA-N
MW715.84 g/mol
LogP2.14
Rot. Bonds6

About 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid

1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid (PubChem CID 159769969) has the molecular formula C30H34BCl3N10O4 and a molecular weight of 715.84 g/mol. Its IUPAC name is 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid.

Molecular Properties

Compound Name1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid
PubChem CID159769969
Molecular FormulaC30H34BCl3N10O4
Molecular Weight715.84 g/mol
Exact Mass714.19
IUPAC Name1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid
SMILESNC(=O)C1CCN(c2c(Cl)cncc2-c2cncnc2)CC1.NC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1.OB(O)c1cncnc1
InChIInChI=1S/C15H16ClN5O.C11H13Cl2N3O.C4H5BN2O2/c16-13-8-18-7-12(11-5-19-9-20-6-11)14(13)21-3-1-10(2-4-21)15(17)22;12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17;8-5(9)4-1-6-3-7-2-4/h5-10H,1-4H2,(H2,17,22);5-7H,1-4H2,(H2,14,17);1-3,8-9H
InChIKeyNFZJISDSMCHZIS-UHFFFAOYSA-N
XLogP2.14
TPSA210.46 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.84
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid with MolForge

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Launch Full Analysis

Related Compounds

1-(3-Chloro-5-(2-(methylthio)pyrimidin-5-yl)pyridin-4-yl)piperidine-4-carboxamide
CID 45275462
1-(3-Chloro-5-(pyrimidin-5-yl)pyridin-4-yl)piperidine-4-carboxamide
CID 45275577
1-(3-Chloro-5-(2-methoxypyrimidin-5-yl)pyridin-4-yl)piperidine-4-carboxamide
CID 45275881
1-[3-Chloro-5-(2-methylsulfanylpyrimidin-5-yl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(2-methylsulfanylpyrimidin-5-yl)boronic acid
CID 157565729
1-(3-Chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-4-ylboronic acid
CID 158983237
CID 161634818
CID 161634818
1-(3-Chloro-5-pyridin-3-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyridin-3-ylboronic acid
CID 162229459

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid?
The IUPAC name of 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid (CID 159769969) is 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid.
What is the SMILES notation for 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid?
The canonical SMILES for 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid is NC(=O)C1CCN(c2c(Cl)cncc2-c2cncnc2)CC1.NC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1.OB(O)c1cncnc1.
What is the InChIKey of 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid?
The InChIKey is NFZJISDSMCHZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O.C11H13Cl2N3O.C4H5BN2O2/c16-13-8-18-7-12(11-5-19-9-20-6-11)14(13)21-3-1-10(2-4-21)15(17)22;12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17;8-5(9)4-1-6-3-7-2-4/h5-10H,1-4H2,(H2,17,22);5-7H,1-4H2,(H2,14,17);1-3,8-9H.
What are the key properties of 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid?
1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid has a molecular weight of 715.84 g/mol, XLogP of 2.14, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;pyrimidin-5-ylboronic acid is sourced from PubChem (CID 159769969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).