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

C16H17ClN4O — CID 45275779

IUPAC1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Cl)cncc2-c2ccncc2)CC1
InChIInChI=1S/C16H17ClN4O/c17-14-10-20-9-13(11-1-5-19-6-2-11)15(14)21-7-3-12(4-8-21)16(18)22/h1-2,5-6,9-10,12H,3-4,7-8H2,(H2,18,22)
InChIKeySINJDMQATRVKIQ-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.50
Rot. Bonds3

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

1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 45275779) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide
PubChem CID45275779
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Cl)cncc2-c2ccncc2)CC1
InChIInChI=1S/C16H17ClN4O/c17-14-10-20-9-13(11-1-5-19-6-2-11)15(14)21-7-3-12(4-8-21)16(18)22/h1-2,5-6,9-10,12H,3-4,7-8H2,(H2,18,22)
InChIKeySINJDMQATRVKIQ-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-4-yl-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide (CID 45275779) is 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide is NC(=O)C1CCN(c2c(Cl)cncc2-c2ccncc2)CC1.
What is the InChIKey of 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is SINJDMQATRVKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-14-10-20-9-13(11-1-5-19-6-2-11)15(14)21-7-3-12(4-8-21)16(18)22/h1-2,5-6,9-10,12H,3-4,7-8H2,(H2,18,22).
What are the key properties of 1-(3-chloro-5-pyridin-4-yl-4-pyridinyl)piperidine-4-carboxamide?
1-(3-chloro-5-pyridin-4-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-4-yl-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 45275779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).