4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide

C21H22N4O2 — CID 166359769

IUPAC4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccnc(C(=O)Nc2ccc(OCc3cnccn3)cc2)c1
InChIInChI=1S/C21H22N4O2/c1-21(2,3)15-8-9-24-19(12-15)20(26)25-16-4-6-18(7-5-16)27-14-17-13-22-10-11-23-17/h4-13H,14H2,1-3H3,(H,25,26)
InChIKeyKRORPQBCRGPKKP-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.00
Rot. Bonds5

About 4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide

4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 166359769) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide
PubChem CID166359769
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccnc(C(=O)Nc2ccc(OCc3cnccn3)cc2)c1
InChIInChI=1S/C21H22N4O2/c1-21(2,3)15-8-9-24-19(12-15)20(26)25-16-4-6-18(7-5-16)27-14-17-13-22-10-11-23-17/h4-13H,14H2,1-3H3,(H,25,26)
InChIKeyKRORPQBCRGPKKP-UHFFFAOYSA-N
XLogP4.00
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3,4-dicyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 174956323
4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109205989
2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087356
N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide
CID 170149403
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine
CID 106486252
4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline
CID 55109980
N-(4-methoxyphenyl)-4-(methylamino)pyridine-2-carboxamide
CID 55042638
N-(3,4-diethoxyphenyl)pyrazine-2-carboxamide
CID 4882744
4-(ethylamino)-N-pyrazin-2-ylpyridine-2-carboxamide
CID 62168412
2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078141
N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217414

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide (CID 166359769) is 4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide is CC(C)(C)c1ccnc(C(=O)Nc2ccc(OCc3cnccn3)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is KRORPQBCRGPKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-21(2,3)15-8-9-24-19(12-15)20(26)25-16-4-6-18(7-5-16)27-14-17-13-22-10-11-23-17/h4-13H,14H2,1-3H3,(H,25,26).
What are the key properties of 4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide?
4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(pyrazin-2-ylmethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 166359769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).