N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C21H20ClN5O2 — CID 167808965

IUPACN-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C21H20ClN5O2/c22-16-3-5-17(6-4-16)29-18-7-8-19(25-12-18)26-21(28)15-2-1-11-27(14-15)20-13-23-9-10-24-20/h3-10,12-13,15H,1-2,11,14H2,(H,25,26,28)
InChIKeyBKRVVBMILKQCIP-UHFFFAOYSA-N
MW409.88 g/mol
LogP4.17
Rot. Bonds5

About N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 167808965) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID167808965
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC NameN-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C21H20ClN5O2/c22-16-3-5-17(6-4-16)29-18-7-8-19(25-12-18)26-21(28)15-2-1-11-27(14-15)20-13-23-9-10-24-20/h3-10,12-13,15H,1-2,11,14H2,(H,25,26,28)
InChIKeyBKRVVBMILKQCIP-UHFFFAOYSA-N
XLogP4.17
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide
CID 46573281
(3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37000668
N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide
CID 133291293
N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide
CID 55922538
(3R)-N-(6-methyl-2-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36998696
(3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37165093
N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977
1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide
CID 51113453
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 42954799
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36998536

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 167808965) is N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)C1CCCN(c2cnccn2)C1.
What is the InChIKey of N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is BKRVVBMILKQCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c22-16-3-5-17(6-4-16)29-18-7-8-19(25-12-18)26-21(28)15-2-1-11-27(14-15)20-13-23-9-10-24-20/h3-10,12-13,15H,1-2,11,14H2,(H,25,26,28).
What are the key properties of N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 409.88 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 167808965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).