1-(3-chloro-5-fluoro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C17H18ClFN4O — CID 146145509

IUPAC1-(3-chloro-5-fluoro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(c2c(F)cncc2Cl)CC1
InChIInChI=1S/C17H18ClFN4O/c18-14-10-21-11-15(19)16(14)23-6-3-13(4-7-23)17(24)22-9-12-2-1-5-20-8-12/h1-2,5,8,10-11,13H,3-4,6-7,9H2,(H,22,24)
InChIKeyXILQKHYVUBSSDU-UHFFFAOYSA-N
MW348.81 g/mol
LogP2.80
Rot. Bonds4

About 1-(3-chloro-5-fluoro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(3-chloro-5-fluoro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 146145509) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID146145509
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name1-(3-chloro-5-fluoro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(c2c(F)cncc2Cl)CC1
InChIInChI=1S/C17H18ClFN4O/c18-14-10-21-11-15(19)16(14)23-6-3-13(4-7-23)17(24)22-9-12-2-1-5-20-8-12/h1-2,5,8,10-11,13H,3-4,6-7,9H2,(H,22,24)
InChIKeyXILQKHYVUBSSDU-UHFFFAOYSA-N
XLogP2.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 52.80
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-fluoro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-5-fluoro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 146145509) is 1-(3-chloro-5-fluoro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-5-fluoro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-5-fluoro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(c2c(F)cncc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-5-fluoro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is XILQKHYVUBSSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c18-14-10-21-11-15(19)16(14)23-6-3-13(4-7-23)17(24)22-9-12-2-1-5-20-8-12/h1-2,5,8,10-11,13H,3-4,6-7,9H2,(H,22,24).
What are the key properties of 1-(3-chloro-5-fluoro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(3-chloro-5-fluoro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 146145509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).