1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide

C15H16ClN5O — CID 45275577

IUPAC1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Cl)cncc2-c2cncnc2)CC1
InChIInChI=1S/C15H16ClN5O/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/h5-10H,1-4H2,(H2,17,22)
InChIKeyWJKZVZJVQNTOPU-UHFFFAOYSA-N
MW317.78 g/mol
LogP1.89
Rot. Bonds3

About 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide

1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 45275577) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide
PubChem CID45275577
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Cl)cncc2-c2cncnc2)CC1
InChIInChI=1S/C15H16ClN5O/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/h5-10H,1-4H2,(H2,17,22)
InChIKeyWJKZVZJVQNTOPU-UHFFFAOYSA-N
XLogP1.89
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide (CID 45275577) is 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide is NC(=O)C1CCN(c2c(Cl)cncc2-c2cncnc2)CC1.
What is the InChIKey of 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is WJKZVZJVQNTOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/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/h5-10H,1-4H2,(H2,17,22).
What are the key properties of 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide?
1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-pyrimidin-5-yl-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 45275577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).