5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide

C19H29ClN4O — CID 173184764

IUPAC5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide
SMILESO=C(NCC1CCCCCCC1)c1cc(C2CNCCN2)ncc1Cl
InChIInChI=1S/C19H29ClN4O/c20-16-12-23-17(18-13-21-8-9-22-18)10-15(16)19(25)24-11-14-6-4-2-1-3-5-7-14/h10,12,14,18,21-22H,1-9,11,13H2,(H,24,25)
InChIKeyZXBLJQHQVMLMMM-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.06
Rot. Bonds4

About 5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide

5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide (PubChem CID 173184764) has the molecular formula C19H29ClN4O and a molecular weight of 364.92 g/mol. Its IUPAC name is 5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide
PubChem CID173184764
Molecular FormulaC19H29ClN4O
Molecular Weight364.92 g/mol
Exact Mass364.20
IUPAC Name5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide
SMILESO=C(NCC1CCCCCCC1)c1cc(C2CNCCN2)ncc1Cl
InChIInChI=1S/C19H29ClN4O/c20-16-12-23-17(18-13-21-8-9-22-18)10-15(16)19(25)24-11-14-6-4-2-1-3-5-7-14/h10,12,14,18,21-22H,1-9,11,13H2,(H,24,25)
InChIKeyZXBLJQHQVMLMMM-UHFFFAOYSA-N
XLogP3.06
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide (CID 173184764) is 5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide is O=C(NCC1CCCCCCC1)c1cc(C2CNCCN2)ncc1Cl.
What is the InChIKey of 5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide?
The InChIKey is ZXBLJQHQVMLMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O/c20-16-12-23-17(18-13-21-8-9-22-18)10-15(16)19(25)24-11-14-6-4-2-1-3-5-7-14/h10,12,14,18,21-22H,1-9,11,13H2,(H,24,25).
What are the key properties of 5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide?
5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide has a molecular weight of 364.92 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 173184764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).