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

C16H17ClN4O — CID 45275880

IUPAC1-(3-chloro-5-pyridin-3-yl-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Cl)cncc2-c2cccnc2)CC1
InChIInChI=1S/C16H17ClN4O/c17-14-10-20-9-13(12-2-1-5-19-8-12)15(14)21-6-3-11(4-7-21)16(18)22/h1-2,5,8-11H,3-4,6-7H2,(H2,18,22)
InChIKeyRYNNXRZMBXJEEW-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.50
Rot. Bonds3

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

1-(3-chloro-5-pyridin-3-yl-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 45275880) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-(3-chloro-5-pyridin-3-yl-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-5-pyridin-3-yl-4-pyridinyl)piperidine-4-carboxamide
PubChem CID45275880
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name1-(3-chloro-5-pyridin-3-yl-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Cl)cncc2-c2cccnc2)CC1
InChIInChI=1S/C16H17ClN4O/c17-14-10-20-9-13(12-2-1-5-19-8-12)15(14)21-6-3-11(4-7-21)16(18)22/h1-2,5,8-11H,3-4,6-7H2,(H2,18,22)
InChIKeyRYNNXRZMBXJEEW-UHFFFAOYSA-N
XLogP2.50
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-pyridin-3-yl-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-5-pyridin-3-yl-4-pyridinyl)piperidine-4-carboxamide (CID 45275880) is 1-(3-chloro-5-pyridin-3-yl-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-5-pyridin-3-yl-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-5-pyridin-3-yl-4-pyridinyl)piperidine-4-carboxamide is NC(=O)C1CCN(c2c(Cl)cncc2-c2cccnc2)CC1.
What is the InChIKey of 1-(3-chloro-5-pyridin-3-yl-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is RYNNXRZMBXJEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-14-10-20-9-13(12-2-1-5-19-8-12)15(14)21-6-3-11(4-7-21)16(18)22/h1-2,5,8-11H,3-4,6-7H2,(H2,18,22).
What are the key properties of 1-(3-chloro-5-pyridin-3-yl-4-pyridinyl)piperidine-4-carboxamide?
1-(3-chloro-5-pyridin-3-yl-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-pyridin-3-yl-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 45275880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).