5-bromo-N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide

C20H16BrClN4O2 — CID 71010144

IUPAC5-bromo-N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1c(Br)cncc1C(=O)Nc1cnc(-c2cc(OC3CC3)ccc2Cl)cn1
InChIInChI=1S/C20H16BrClN4O2/c1-11-15(7-23-8-16(11)21)20(27)26-19-10-24-18(9-25-19)14-6-13(4-5-17(14)22)28-12-2-3-12/h4-10,12H,2-3H2,1H3,(H,25,26,27)
InChIKeyPRNVRFDVJHPQFQ-UHFFFAOYSA-N
MW459.73 g/mol
LogP5.06
Rot. Bonds5

About 5-bromo-N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide

5-bromo-N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide (PubChem CID 71010144) has the molecular formula C20H16BrClN4O2 and a molecular weight of 459.73 g/mol. Its IUPAC name is 5-bromo-N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
PubChem CID71010144
Molecular FormulaC20H16BrClN4O2
Molecular Weight459.73 g/mol
Exact Mass458.01
IUPAC Name5-bromo-N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1c(Br)cncc1C(=O)Nc1cnc(-c2cc(OC3CC3)ccc2Cl)cn1
InChIInChI=1S/C20H16BrClN4O2/c1-11-15(7-23-8-16(11)21)20(27)26-19-10-24-18(9-25-19)14-6-13(4-5-17(14)22)28-12-2-3-12/h4-10,12H,2-3H2,1H3,(H,25,26,27)
InChIKeyPRNVRFDVJHPQFQ-UHFFFAOYSA-N
XLogP5.06
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.73
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide (CID 71010144) is 5-bromo-N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide is Cc1c(Br)cncc1C(=O)Nc1cnc(-c2cc(OC3CC3)ccc2Cl)cn1.
What is the InChIKey of 5-bromo-N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is PRNVRFDVJHPQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN4O2/c1-11-15(7-23-8-16(11)21)20(27)26-19-10-24-18(9-25-19)14-6-13(4-5-17(14)22)28-12-2-3-12/h4-10,12H,2-3H2,1H3,(H,25,26,27).
What are the key properties of 5-bromo-N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
5-bromo-N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 459.73 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).