N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide

C18H18ClN7O — CID 55922538

IUPACN-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(c2cncc(-n3cccn3)n2)C1
InChIInChI=1S/C18H18ClN7O/c19-14-4-5-15(21-9-14)23-18(27)13-3-1-7-25(12-13)16-10-20-11-17(24-16)26-8-2-6-22-26/h2,4-6,8-11,13H,1,3,7,12H2,(H,21,23,27)
InChIKeyUSKQXMBALAUKSJ-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.57
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide (PubChem CID 55922538) has the molecular formula C18H18ClN7O and a molecular weight of 383.84 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide
PubChem CID55922538
Molecular FormulaC18H18ClN7O
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC NameN-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(c2cncc(-n3cccn3)n2)C1
InChIInChI=1S/C18H18ClN7O/c19-14-4-5-15(21-9-14)23-18(27)13-3-1-7-25(12-13)16-10-20-11-17(24-16)26-8-2-6-22-26/h2,4-6,8-11,13H,1,3,7,12H2,(H,21,23,27)
InChIKeyUSKQXMBALAUKSJ-UHFFFAOYSA-N
XLogP2.57
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133409751
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133359806
N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide
CID 133291293
N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 55924538
N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 167808965
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-4-ylpiperidine-3-carboxamide
CID 90520525
(3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 124880924
N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 137268111
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
N-(5-chloro-2-pyridinyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 43034610
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
(3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95369280

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide (CID 55922538) is N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCCN(c2cncc(-n3cccn3)n2)C1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide?
The InChIKey is USKQXMBALAUKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7O/c19-14-4-5-15(21-9-14)23-18(27)13-3-1-7-25(12-13)16-10-20-11-17(24-16)26-8-2-6-22-26/h2,4-6,8-11,13H,1,3,7,12H2,(H,21,23,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55922538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).